Methyl 2-pyrazinecarboxylate

Base Information

• Chemical Name: Methyl 2-pyrazinecarboxylate
• CAS No.: 6164-79-0
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.126
• Hs Code.: 29339900
• European Community (EC) Number: 228-198-6
• NSC Number: 32337
• UNII: 90NZ6P9NG2
• DSSTox Substance ID: DTXSID4064131
• Nikkaji Number: J27.880G
• Wikidata: Q63399729
• Metabolomics Workbench ID: 122321
• ChEMBL ID: CHEMBL114792
• Mol file: 6164-79-0.mol

Synonyms:methyl pyrazine-2-carboxylate;6164-79-0;Methyl 2-pyrazinecarboxylate;Methyl pyrazinoate;Pyrazinoic acid methyl ester;Pyrazinecarboxylic acid, methyl ester;Methyl pyrazinecarboxylate;Methylpyrazine-2-carboxylate;Pyrazine-2-carboxylic acid, methyl ester;2-Pyrazinecarboxylic acid, methyl ester;Pyrazine-2-carboxylic acid methyl ester;C6H6N2O2;2-methoxycarbonylpyrazine;90NZ6P9NG2;NSC32337;EINECS 228-198-6;MFCD00014611;NSC 32337;NSC-32337;Methyl2-Pyrazinecarboxylate;2-Pyrazinecarboxylic Acid Methyl Ester;UNII-90NZ6P9NG2;methyl 2-pyrazine carboxylate;methyl-2-pyrazine carboxylate;Methyl pyrazine 2-carboxylate;SCHEMBL108950;CHEMBL114792;2-Pyrazinecarboxylic acid methyl;DTXSID4064131;pyrazine carboxylate methyl ester;TWIIRMSFZNYMQE-UHFFFAOYSA-;BCP23402;Methyl 2-pyrazinecarboxylate, 97%;RB3190;AKOS000266751;CCG-321173;AC-23437;SY006191;TS-03568;A8541;AM20070418;CS-0080007;FT-0636013;M2015;PYRAZINAMIDE IMPURITY A [EP IMPURITY];EN300-100508;AN-652/40184635;Q63399729;Z18351140;F2145-0361;3-methylpyrazine-2-carboxylate

Chemical Property of Methyl 2-pyrazinecarboxylate

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.113mmHg at 25°C
• Melting Point: 57-61 °C(lit.)
• Refractive Index: 1.513
• Boiling Point: 220.4 °C at 760 mmHg
• PKA: -0.91±0.10(Predicted)
• Flash Point: 87.1 °C
• PSA: 52.08000
• Density: 1.213 g/cm³
• LogP: 0.26320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 138.042927438
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-Pyrazinecarboxylate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1=NC=CN=C1

Technology Process of Methyl 2-pyrazinecarboxylate

There total 17 articles about Methyl 2-pyrazinecarboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-pyrazylcarboxylic acid (98-97-5) → methyl pyrazine-2-carboxylate (6164-79-0)

Guidance literature:

In diethyl ether; dichloromethane; at 20 ℃; for 0.25h;

DOI:10.1016/S0223-5234(01)01327-7

Reference yield: 99.0%

2-chloropyrazin (14508-49-7) + methanol (67-56-1) + carbon monoxide (201230-82-2) → methyl pyrazine-2-carboxylate (6164-79-0)

Guidance literature:

With dichloro[2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II); triethylamine; at 100 ℃; for 4h; under 2585.74 Torr;

DOI:10.1021/ol0498287

Reference yield: 98.0%

methanol (67-56-1) + 2-pyrazylcarboxylic acid (98-97-5) → methyl pyrazine-2-carboxylate (6164-79-0)

Guidance literature:

With sulfuric acid; for 2h; Reflux;

DOI:10.1016/j.bmc.2016.04.054

upstream raw materials:

methanol

2-pyrazylcarboxylic acid

3-[(methyloxy)carbonyl]-2-pyrazinecarboxylic acid

1,4-pyrazine

Downstream raw materials:

pyrazine-2-carboxylic acid-[(1R,2R)-2-hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethylamide]

3-oxo-3-pyrazin-2-yl-propionic acid ethyl ester

pyrazine-2-carboxylic acid-(4-methoxy-benzylamide)

pyrazine-2-carboxylic acid N'-methylhydrazide

Refernces

• 1、 Shalini,Johansen, Matt D.,Kremer, Laurent,Kumar, Vipan. "Design, synthesis, anti-mycobacterial and cytotoxic evaluation of C-4 functionalized 1,8-naphthalimide-heterocyclic hydrazide conjugates". . p. 1300 - 1305. Retrieved 2019.
• 2、 Das, Rina,Mehta, Dinesh Kumar. "Evaluation and Docking Study of Pyrazine Containing 1, 3, 4-Oxadiazoles Clubbed with Substituted Azetidin-2-one: A New Class of Potential Antimicrobial and Antitubercular". . p. 26 - 35. Retrieved 2021.
• 3、 Fan, Jing,Li, Qing-Zhong,Li, Zhe,Liu, Hai-Bo,Wang, Zhi-Gang,Xie, Cheng-Zhi,Xu, Jing-Yuan,Yan, Xiao-Jing. "A chromone hydrazide Schiff base fluorescence probe with high selectivity and sensitivity for the detection and discrimination of human serum albumin (HSA) and bovine serum albumin (BSA)". . . Retrieved 2021/10/12.
• 4、 -. "PIEZO1 AGONISTS FOR THE PROMOTION OF BONE FORMATION". Page/Page column 30; 32. . Retrieved 2021/04/10.