Pyrazines

Li, DD; Xu, QF; Li, YG; Qiu, YT; Ma, PT; Niu, JY; Wang, JP in [Li, Dandan; Xu, Qiaofei; Li, Yingguang; Qiu, Yueting; Ma, Pengtao; Niu, Jingyang; Wang, Jingping] Henan Univ, Coll Chem & Chem Engn, Inst Mol & Crystal Engn, Henan Key Lab Polyoxometalate Chem, Kaifeng 475004, Henan, Peoples R China published A Stable Polyoxometalate-Based Metal-Organic Framework as Highly Efficient Heterogeneous Catalyst for Oxidation of Alcohols in 2019, Cited 54. Application In Synthesis of Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

A novel copper-containing 3D polyoxometalate-based metal-organic framework (POMOF), H[(Cu5CuII)-Cu-I(pzc)(2)(pz)(4.5){P2W18O62}]center dot 6H(2)O (HENU-1, HENU = Henan University; Hpzc = pyrazine-2-carboxylic acid, pz = pyrazine), was successfully isolated by a one-step hydrothermal method. In this compound, the {P2W18} polyanion acts as a seven-connected linker bridging adjacent 2D double-layer networks, as well as a template to induce the formation of the desired 3D framework. Particularly, the pz ligands are generated from pzc ligands in situ during the reaction process. HENU-1 exhibits not only good stability in air but also tolerance to acidic and basic media. It was first employed as a highly efficient heterogeneous catalyst for the oxidation of 1-phenylethanol into acetophenone, which shows 97% yield using tert-butyl hydroperoxide as oxidant with a turnover frequency of up to 9690.h(-1), and was reused for at least five cycles without significant catalytic activity loss. No POM leaching or framework decomposition was observed in our study.

Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.. Application In Synthesis of Pyrazine-2-carboxylic acid

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

COA of Formula: C5H4N2O2. In 2020 BIOORG MED CHEM LETT published article about PHARMACOLOGICAL EVALUATION; ANTIBACTERIAL ACTIVITY; ANTIMICROBIAL ACTIVITY; ACCURATE DOCKING; OXAZOLIDINONE; OXADIAZOLES; DESIGN; GLIDE in [Kashid, Bharat B.; Salunkhe, Pravin H.; Dongare, Balasaheb B.; Ghanwat, Anil A.] Solapur Univ, Sch Chem Sci, Chem Res Lab, Solapur 413255, India; [Salunkhe, Pravin H.] CSIR Natl Chem Lab, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India; [More, Kishor R.] Shandong Keyuan Pharmaceut Co Ltd, Keyuan St, Jinan, Shandong, Peoples R China; [Khedkar, Vijay M.] Vishwakarma Univ, Sch Pharm, Survey 2,3,4 Laxminagar, Pune 411048, Maharashtra, India in 2020, Cited 43. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.

Welcome to talk about 98-97-5, If you have any questions, you can contact Kashid, BB; Salunkhe, PH; Dongare, BB; More, KR; Khedkar, VM; Ghanwat, AA or send Email.. COA of Formula: C5H4N2O2

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Application In Synthesis of Pyrazine-2-carboxylic acid. In 2019 J MED CHEM published article about ACTIVATION in [Jiang, Yuqi; He, Liu; Green, Jakob; Blevins, Hallie; Zhang, Shijun] Virginia Commonwealth Univ, Dept Med Chem, Richmond, VA 23298 USA; [Guo, Chunqing; Wang, Xiang-Yang] Virginia Commonwealth Univ, Dept Human & Mol Genet, Richmond, VA 23298 USA; [Patel, Sulay Harsiddhbhai; McRae, MaryPeace] Virginia Commonwealth Univ, Dept Pharmacotherapy & Outcomes, Richmond, VA 23298 USA; [Halquist, Matthew S.; Venitz, Jurgen] Virginia Commonwealth Univ, Dept Pharmaceut, Richmond, VA 23298 USA; [Jiang, Yuqi] Ocean Univ China, Sch Med & Pharm, Qingdao 266003, Shandong, Peoples R China in 2019, Cited 30. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

NLRP3 inflammasomes have recently emerged as an attractive drug target for neurodegenerative disorders. In our continuing studies, a new chemical scaffold was designed as selective inhibitors of NLRP3 inflammasomes. Initial characterization of the lead HL16 demonstrated improved, however, nonselective inhibition on the NLRP3 inflammasome. Structure-activity relationship studies of HL16 identified a new lead, 17 (YQ128), with an IC50 of 0.30 +/- 0.01 mu M. Further studies from in vitro and in vivo models confirmed its selective inhibition on the NLRP3 inflammasome and its brain penetration. Furthermore, pharmacokinetic studies in rats at 20 mg/kg indicated extensive systemic clearance and tissue distribution, leading to a half-life of 6.6 h. However, the oral bioavailability is estimated to be only 10%, which may reflect limited GI permeability and possibly high first-pass effects. Collectively, these findings strongly encourage development of more potent analogues with improved pharmacokinetic properties from this new chemical scaffold.

Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.. Application In Synthesis of Pyrazine-2-carboxylic acid

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Application In Synthesis of Pyrazine-2-carboxylic acid. Omondi, RO; Sibuyi, NRS; Fadaka, AO; Meyer, M; Jaganyi, D; Ojwach, SO in [Omondi, Reinner O.; Ojwach, Stephen O.] Univ KwaZulu Natal, Sch Chem & Phys, Private Bag X01, ZA-3209 Pietermaritzburg, South Africa; [Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin] Univ Western Cape, Dept Biotechnol, Bag X17, ZA-7535 Cape Town, South Africa; [Jaganyi, Deogratius] Mt Kenya Univ, Sch Pure & Appl Sci, POB 342-01000, Thika, Kenya; [Jaganyi, Deogratius] Durban Univ Technol, Fac Sci Appl, Dept Chem, POB 1334, ZA-4000 Durban, South Africa published Role of pi-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and in vitro cytotoxicity of carboxamide palladium(II) complexes in 2021, Cited 70. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

Treatments of N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (L-1), N-(quinolin-8-yl)pyrazine-2-carboxamide (L-2), N-(quinolin-8-yl)picolinamide (L-3) and N-(quinolin-8-yl)quinoline-2-carboxamide (L-4) with [PdCl2(NCMe)](2) afforded the corresponding Pd(ii) complexes, [Pd(L-1)Cl] (PdL1); [Pd(L-2)Cl] (PdL2); [Pd(L-3)Cl] (PdL3); and [Pd(L-4)Cl] (PdL4) in moderate yields. Structural characterisation of the compounds was achieved by NMR and FT-IR spectroscopies, elemental analyses and single crystal X-ray crystallography. The solid-state structures of complexes PdL2-PdL4 established the presence of one tridentate carboxamide and Cl ligands around the Pd(ii) coordination sphere, to give distorted square planar complexes. Electrochemical investigations of PdL1-PdL4 showed irreversible one-electron oxidation reactions. Kinetics reactivity of the complexes towards bio-molecules, thiourea (Tu), l-methionine (L-Met) and guanosine 5 ‘-diphosphate disodium salt (5 ‘-GMP) decreased in the order: PdL1 > PdL2 > PdL3 > PdL4, in tandem with the density functional theory (DFT) data. The complexes bind favourably to calf thymus (CT-DNA), and bovine serum albumin (BSA), and the order of their interactions agrees with the substitution kinetics trends. The in vitro cytotoxic activities of PdL1-PdL4 were examined in cancer cell lines A549, PC-3, HT-29, Caco-2, and HeLa, and a normal cell line, KMST-6. Overall, PdL1 and PdL3 displayed potent cytotoxic effects on A549, PC-3 HT-29 and Caco-2 comparable to cisplatin. All the investigated complexes exhibited lower toxicity on normal cells than cisplatin.

Application In Synthesis of Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Application In Synthesis of Pyrazine-2-carboxylic acid. In 2020 EUR J MED CHEM published article about NONCOVALENT; APOPTOSIS; PATHWAY; POTENT in [Sun, Qi; Zhou, Tongliang; Xi, Dandan; Li, Xiaona; Lu, Zirui; Xu, Fengrong; Wang, Chao; Niu, Yan; Xu, Ping] Peking Univ, Sch Pharmaceut Sci, Dept Med Chem, Hlth Sci Ctr, Beijing 100191, Peoples R China; [Sun, Qi] Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100871, Peoples R China in 2020, Cited 31. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

A series of tripeptidic proteasome inhibitors with furylketone as C-terminus were designed and synthesized. Biochemical evaluations against beta 1, beta 2 and beta 5 subunits revealed that they acted selectively on beta 5 subunit with IC(50)s against chymotrypsin-like (CT-L) activity in micromolar range. LC-MS/MS analysis of the ligand-20S proteasome mixture showed that the most potent compound 11m (IC50 = 0.18 mu M) made no covalent modification on 20S proteasome. However, it was identified acting in a slowly reversible manner in wash-out assay and the reversibility was much lower than that of MG132, suggesting the possibility of these tripeptidic furylketones forming reversible covalent bonds with 20S proteasome. Several compounds were selected for anti-proliferative assay towards multiple cancer cell lines, and compound 11m displayed comparable potency to positive control (MG132) in all cell lines tested. Furthermore, the pharmacokinetic (PK) data in rats indicated 11m behaved similarly (C-max, 2007 mu g/L; AUC(0-t), 680 mu g/L.h; V-ss, 0.66 L/kg) to the clinical used agent carfilzomib. All these data suggest 11m is a good lead compound to be developed to novel anti-tumor agent. (c) 2020 Elsevier Masson SAS. All rights reserved.

Application In Synthesis of Pyrazine-2-carboxylic acid. Welcome to talk about 98-97-5, If you have any questions, you can contact Sun, Q; Zhou, TL; Xi, DD; Li, XN; Lu, ZR; Xu, FR; Wang, C; Niu, Y; Xu, P or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Formula: C5H4N2O2. In 2020 J MATER CHEM B published article about SENSITIVE FLUORESCENT-PROBE; HSA; SENSOR; RECOGNITION; SITE; QUANTIFICATION; FLUOROPHORES; DIAGNOSIS; INSIGHTS; BINDING in [Wang, Zhi-Gang; Yan, Xiao-Jing; Xie, Cheng-Zhi; Xu, Jing-Yuan] Tianjin Med Univ, Sch Pharm, Dept Chem Biol, Tianjin 300070, Peoples R China; [Wang, Zhi-Gang; Yan, Xiao-Jing; Xie, Cheng-Zhi; Xu, Jing-Yuan] Tianjin Med Univ, Sch Pharm, Tianjin Key Lab Technol Enabling Dev Clin Therape, Tianjin 300070, Peoples R China; [Liu, Hai-Bo] Chinese Acad Med Sci, Peking Union Med Coll, Inst Med Plant Dev, Beijing 100193, Peoples R China; [Zhang, De-Long] Tianjin Santan Hosp, Dept Pharm, Tianjin 300193, Peoples R China; [Liu, Wei] Tianjin Med Univ, Hosp 2, Tianjin 300211, Peoples R China; [Li, Qing-Zhong] Yantai Univ, Sch Chem & Chem Engn, Lab Theoret & Computat Chem, Yantai 264005, Peoples R China in 2020, Cited 53. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5.

Human serum albumin (HSA) is considered as a biomarker for the early diagnosis of renal disease, therefore identifying and detecting HSA in biological fluids (especially urine) with an easy method is of great importance. Herein, we report a novel hydrazide Schiff base fluorescent probeN ‘-((7-(diethylamino)-2-oxo-2H-chromen-3-yl)methylene)pyrazine-2-carbohydrazide (NPC), which self-assembled into nanoparticles in aqueous solution. Based on disassembly-induced emission and the site-specific recognition mechanism, the binding ofNPCwith HSA resulted in a fluorescence turn-on response. ProbeNPCexhibited superior selectivity and sensitivity toward HSA with a detection limit of 0.59 mg L(-1)in PBS and 0.56 mg L(-1)in the urine sample. The site-binding mechanism ofNPCwith HSA was explored by fluorescence quenching study, Job’s plot analysis, HSA destruction, site marker displacement and molecular docking. Fluorescence imaging of HSA in MCF-7 cells was achieved by using a non-toxicNPCprobe, suggesting thatNPCcould be applied to visualize the level of HSAin vivo. More importantly, further practical applications of probeNPCin human urine samples were achieved with satisfactory results by using a fluorometer or test paper, which could provide extensive application in clinical diagnosis.

Welcome to talk about 98-97-5, If you have any questions, you can contact Wang, ZG; Yan, XJ; Liu, HB; Zhang, DL; Liu, W; Xie, CZ; Li, QZ; Xu, JY or send Email.. Formula: C5H4N2O2

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Authors Rehman, AU; Khan, MT; Liu, H; Wadood, A; Malik, SI; Chen, HF in AMER CHEMICAL SOC published article about MOLECULAR-DYNAMICS; SHAPE COMPLEMENTARITY; BINDING; DOCKING; SYSTEM; IDENTIFICATION; TRANSLATION; CONSTRAINTS; MUTATION; INSIGHT in [Rehman, Ashfaq Ur; Liu, Hao; Chen, Hai-Feng] Shanghai Jiao Tong Univ, Sch Life Sci & Biotechnol, Natl Expt Teaching Ctr Life Sci & Biotechnol, State Key Lab Microbial Metab,Dept Bioinformat &, Shanghai 200240, Peoples R China; [Chen, Hai-Feng] Shanghai Ctr Bioinformat Technol, Shanghai 200235, Peoples R China; [Khan, Muhammad Tahir; Malik, Shaukat Iqbal] Capital Univ Sci & Technol, Dept Bioinformat & Biosci, Islamabad 44000, Pakistan; [Rehman, Ashfaq Ur; Wadood, Abdul] Abdul Wali Khan Univ Marden, Dept Biotechnol, Mardan 23200, Pakistan in 2019, Cited 62. Safety of Pyrazine-2-carboxylic acid. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

Pyrazinamide (PZA) is an essential first line antitubercular drug, which plays a crucial role in tuberculosis treatment. The PZA, which is considered as a pro-drug needs an enzyme of mycobacterial pyrazinamidase (PZase) for its conversion into an active form pyrazinoic acid. Further, this active form of PZA inhibits the ribosomal proteins Si, which facilitates the transfer-mRNA complex formation throughout the translation. The spontaneous mutations in RpsA have been found to be associated with PZA drug resistance. However, the drug resistance mechanism is still unclear. Furthermore, there is no such information available about the structural dynamics of RpsA protein because of mutations that confer Pyrazinoic acid resistance. Moreover, a total of 18 clinical PZA-resistant isolates were investigated and found to be pncA(WT), which allowed exploration of the resistance mechanism of RpsA in the mutated state. Samples were repeated for the drug susceptibility testing followed by RpsA gene sequencing. A total of 11 clinical isolates harbored a total of 15 mutations. Almost half of the total strains (7/15) were observed to be in the conserved region of RpsA and known as Mycobacterium tuberculosis C-terminal domain. In the current study, (2/7) mutation T370P (mutant 1) and W403G (mutant 2) were explored to ensure the RpsA resistance mechanism through essential dynamics simulation. The essential dynamics study results revealed that the distal loop mutations drastically altered the conformation of RpsA both in the absence () and presence (+) of pyrazinoic acid drug for two reasons: (1) dramatic alteration or reduction in the binding pattern of pyrazinoic acid with active site residues observed and (2) a clear image of the opening and closing switching mechanism was seen upon the distal site mutation on nearby 3(10)-helixes beside the pyrazinoic acid binding site. This switch was found to consistently remain closed only in wild type systems, while it was open in the mutant systems. We called such distance impact an allosteric effect. The overall mechanistic investigations will provide useful information behind drug resistance for better understanding to manage tuberculosis.

Safety of Pyrazine-2-carboxylic acid. Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Authors Das, R; Mehta, DK in GEORG THIEME VERLAG KG published article about MYCOBACTERIUM-TUBERCULOSIS; ANTIINFLAMMATORY ACTIVITY; LUMAZINE SYNTHASE; BINDING MODE; BETA-LACTAMS; 1,3,4-OXADIAZOLE; AZETIDINONES; RESISTANCE; INHIBITORS; DESIGN in [Das, Rina; Mehta, Dinesh Kumar] Maharishi Markandeshwar Deemed Be Univ, MM Coll Pharm, Ambala 133207, Haryana, India in 2021, Cited 50. Formula: C5H4N2O2. The Name is Pyrazine-2-carboxylic acid. Through research, I have a further understanding and discovery of 98-97-5

Background Tuberculosis (TB) caused by Mycobacterium tuberculosis is one of the main killers of people all over the world. The major hurdles with existing therapy are the lengthy regimen and appearance of multi drug resistant (MDR) and extensively drug resistant (XDR) strains of M.tuberculosis. Aims The present work was aimed to synthesize and determine antitubercular and antimicrobial potential of some novel 3-chloro-4-aryl-1-[4-(5-pyrazin-2-yl[1,3,4]oxadiazole-2-ylmethoxy)-phenyl]-azetidin-2-one derivatives 7(a-h) from pyrazinoic acid as precursor, which is a well-established antitubercular agent. Here we report the synthesis of a new class of heterocyclic molecules in which pyrazine, 1, 3, 4-oxadiazole and azetidinone moieties were present in one frame work. Methods Pyrazinoic acid (1) was esterified first (2) followed by amination to produce hydrazide (3) which was refluxed with POCl3 to obtain 2-chloromethyl-5pyrazino-1, 3, 4-oxadiazole (4). This was then further reacted with 4-amino phenol to obtain 4-[5-pyrazino-1, 3, 4-oxadiazol-2-yl-methoxy]-phenyl amine (5) which on condensation with various aromatic aldehydes afforded a series Schiff’s bases 6(a-h). Dehydrative annulations of 6(a-h) in the presence of chloroacetyl chloride and triethylamine yielded 3-chloro-4-aryl-1-[4-(5-pyrazin-2-yl-[1, 3, 4]oxadiazole-2-ylmethoxy)-phenyl]-azetidin-2-one derivatives 7(a-h). Antibacterial, antifungal and antitubercular potential of all the synthesized compounds were assessed. Docking study was performed using the software VLife Engine tools of Vlifemds 4.6 on the protein lumazine synthase of M. tuberculosis (PDB entry code 2C92). Results The present studies demonstrated that synthesized oxadiazole derivatives have good antimicrobial activity against the various microorganisms. Among the synthesized derivative, 7b and 7g were found to be prominent compounds which have potential antibacterial, antifungal and antitubercular activity (with MIC 3.12 mu g/ml and high dock score ranging from -59.0 to -54.0) against Mycobacterium tuberculosis. Conclusions Derivatives 7b and 7g would be effective lead candidates for tuberculosis therapy.

Formula: C5H4N2O2. Welcome to talk about 98-97-5, If you have any questions, you can contact Das, R; Mehta, DK or send Email.

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

I found the field of Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Chemistry very interesting. Saw the article Preparation and biological evaluation of soluble tetrapeptide epoxyketone proteasome inhibitors published in 2019. Recommanded Product: Pyrazine-2-carboxylic acid, Reprint Addresses Lei, M (corresponding author), Nanjing Forestry Univ, Coll Sci, 159 Longpan Rd, Nanjing 210037, Jiangsu, Peoples R China.; Zhu, YQ (corresponding author), Nanjing Normal Univ, Coll Life Sci, 1 Wenyuan Rd, Nanjing 210046, Jiangsu, Peoples R China.. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid

A series of novel tetrapeptidyl epoxyketone inhibitors of 20S proteasome was designed and synthesized. To fully understand the SAR, various groups at R-1, R-2, R-3, R-4 and R-5 positions, including aromatic and aliphatic substituents were designed, synthesized and biologically assayed. Based on the enzymatic results, seven compounds were selected to evaluate their cellular activities and soluble compound 36 showed strong potency against human multiple myeloma (MM) cell lines. Microsomal stability results indicated that compound 36 was more stable in mice, rat and human microsomes than marketed carfilzomib. The in vivo activities of this compound were evaluated with the xenograft mice models of MM cell lines ARH77 and RPMI-8226 with luciferase expression and the T/C value of the two models were 49.5% and 37.6%, respectively. To evaluate the potential cardiovascular toxicity, inhibition of hERG ion channel in HEK293 cells by compound 36 and carfilzomib was carried out. The results indicated that 36 had no binding affinity for the hERG ion channel while carfilzomib could bind it with IC50, of 92.1 mu M.

Bye, fridends, I hope you can learn more about C5H4N2O2, If you have any questions, you can browse other blog as well. See you lster.. Recommanded Product: Pyrazine-2-carboxylic acid

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem

Recently I am researching about INDEPENDENT CHEMICAL-SHIFTS; THROUGH-SPACE INTERACTIONS; FACE-TO-FACE; HYDROGEN-BOND; CRYSTAL-STRUCTURE; CURRENT-DENSITY; SANDWICH; SUBSTITUENTS; COMPLEXES; ENERGIES, Saw an article supported by the Ferdowsi University of Mashhad, Research Council [3/33540]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Samie, A; Salimi, A; Garrison, JC. The CAS is 98-97-5. Through research, I have a further understanding and discovery of Pyrazine-2-carboxylic acid. Formula: C5H4N2O2

Based on the crystal engineering concept, four new esters containing alpha and beta-substituted naphthalene rings were designed, synthesized and fully characterized. The crystal structure analysis of the designed molecules revealed that the C-H-based interactions especially C-HMIDLINE HORIZONTAL ELLIPSIS pi have a significant role in the stabilization of crystal architectures. Regarding the molecular structure of naphthalene rings, one can find that bond lengths are divided into two groups (shorter and longer) so that relative localization is likely to occur in this system. Since pi-electron localization in aromatic rings has been previously introduced as responsible for stronger pi-stacking, this issue was investigated through C-HMIDLINE HORIZONTAL ELLIPSIS pi interaction in this study. Cambridge Structural Database (CSD) analysis was performed by exploration of suitable geometries for C-HMIDLINE HORIZONTAL ELLIPSIS pi(c) and C-HMIDLINE HORIZONTAL ELLIPSIS pi(e) in naphthalene and phenol systems (pi(c) and pi(e) are the centre and edge of the aromatic rings, respectively). The tendency factor (TF) of the C-H moiety toward ring bonds as a new CSD-based criterion was used to detect some of the resonance forms in aromatic rings. The results indicated that C-HMIDLINE HORIZONTAL ELLIPSIS pi(e) is a ubiquitous interaction which can be employed as an experimental probe for the detection of pi-localization in naphthalene rings. Systematic experimental studies, structural evidence and computational results on the title compounds confirmed the relative pi-electron localization, as well.

Welcome to talk about 98-97-5, If you have any questions, you can contact Samie, A; Salimi, A; Garrison, JC or send Email.. Formula: C5H4N2O2

Reference:
Patent; Chevron Research Company; US4732894; (1988); A;,
Pyrazine – Wikipedia,
Pyrazine | C4H4N2 – PubChem