Methyl 6-chloropyrazine-2-carboxylate

Base Information

• Chemical Name: Methyl 6-chloropyrazine-2-carboxylate
• CAS No.: 23611-75-8
• Molecular Formula: C6H5ClN2O2
• Molecular Weight: 172.571
• Hs Code.: 2933990090
• European Community (EC) Number: 807-301-3
• DSSTox Substance ID: DTXSID10454590
• Nikkaji Number: J419.527B
• Wikidata: Q72489400
• Mol file: 23611-75-8.mol

Synonyms:Methyl 6-chloropyrazine-2-carboxylate;23611-75-8;methyl 6-chloro-2-pyrazinecarboxylate;2-Chloro-6-pyrazinecarboxylic acid methyl ester;2-Pyrazinecarboxylic acid, 6-chloro-, methyl ester;MFCD10686598;Pyrazinecarboxylic acid, 6-chloro-, methyl ester;SCHEMBL1134502;OSM-S-149;DTXSID10454590;MVVYUJFEXRODQA-UHFFFAOYSA-N;AMY12138;BCP23413;Methyl6-chloropyrazine-2-carboxylate;AKOS006304089;CS-W003732;GS-5910;PB17754;AC-28838;BP-11964;SY014086;A4925;FT-0647019;EN300-95754;6-Chloropyrazine-2-carboxylic acid methyl ester;Q-101234;Z1198275613

Chemical Property of Methyl 6-chloropyrazine-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Melting Point: 40-41 °C
• Refractive Index: 1.534
• Boiling Point: 256.437 °C at 760 mmHg
• PKA: -2.28±0.10(Predicted)
• Flash Point: 108.889 °C
• PSA: 52.08000
• Density: 1.373 g/cm³
• LogP: 0.91660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.0039551
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

Methyl6-Chloropyrazine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=CC(=N1)Cl

Technology Process of Methyl 6-chloropyrazine-2-carboxylate

There total 7 articles about Methyl 6-chloropyrazine-2-carboxylate 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: 76.0%

methanol (67-56-1) + 2-(6-chloropyrazin-2(1H)-ylidene)malononitrile → 6-chloro-pyrazine-2-carboxylic acid methyl ester (23611-75-8)

Guidance literature:

methanol; 2-(6-chloropyrazin-2(1H)-ylidene)malononitrile; With lithium carbonate; for 0.5h;

With magnesium bis(monoperoxyphthalate)hexahydrate; at 0 ℃; for 3h;

DOI:10.1039/c2nj40791d

Reference yield: 72.0%

methyl pyrazine-2-carboxylate (6164-79-0) → 6-chloro-pyrazine-2-carboxylic acid methyl ester (23611-75-8)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.bmcl.2011.09.044

Reference yield: 67.0%

methylester of pyrazinecarboxylic acid 4-oxide (770-00-3) → 6-chloro-pyrazine-2-carboxylic acid methyl ester (23611-75-8)

Guidance literature:

With thionyl chloride; for 8h; Reflux;

upstream raw materials:

methylester of pyrazinecarboxylic acid 4-oxide

2-(methoxycarbonyl)pyrazine 1-oxide

methyl pyrazine-2-carboxylate

methanol

Downstream raw materials:

methyl 5-(4-(tert-butoxycarbonyl)piperazin-1-yl)pyrazine-2-carboxylate

methyl 6-(diphenylphosphoryl)pyrazine-2-carboxylate

C₁₈H₁₅N₂O₂P

(6-chloropyrazin-2-yl)methanol