Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester

Base Information

Chemical Name:Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester
CAS No.:139244-46-5
Molecular Formula:C7H5F3N2O2
Molecular Weight:206.122
Hs Code.:
DSSTox Substance ID:DTXSID40160975
Nikkaji Number:J477.922C
Wikidata:Q83029335
ChEMBL ID:CHEMBL19568

Synonyms:2,2,2-Trifluoroethyl pyrazinoate;Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester;139244-46-5;BRN 5334238;2,2,2-trifluoroethyl pyrazine-2-carboxylate;CHEMBL19568;SCHEMBL5791227;DTXSID40160975;ULSGTKAIZYJJHM-UHFFFAOYSA-N

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester

Chemical Property:

Vapor Pressure:0.124mmHg at 25°C
Boiling Point:218.7°Cat760mmHg
Flash Point:86.1°C
Density:1.405g/cm³
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:206.03031189
Heavy Atom Count:14
Complexity:208

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN=C(C=N1)C(=O)OCC(F)(F)F

Technology Process of Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester

There total 3 articles about Pyrazinecarboxylic acid, 2,2,2-trifluoroethyl ester 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: 79.0%

: 19847-10-0
pyrazinoyl chloride

: 75-89-8
2,2,2-trifluoroethanol

: 139244-46-5
2,2,2-trifluoroethyl pyrazinoate

Guidance literature:: With pyridine; In dichloromethane; 1.) 0 deg C, 1 h, 2.) RT, overnight;
DOI:10.1021/jm00085a007

Reference yield: 78.0%

: 98-97-5
2-pyrazylcarboxylic acid

: 75-89-8
2,2,2-trifluoroethanol

: 139244-46-5
2,2,2-trifluoroethyl pyrazinoate

Guidance literature:: With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃;
DOI:10.1016/S0040-4020(98)00129-X

Reference yield:

: 98-97-5
2-pyrazylcarboxylic acid

: 139244-46-5
2,2,2-trifluoroethyl pyrazinoate

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / thionyl chloride / benzene / 2 h / Heating

2: 79 percent / pyridine / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) RT, overnight

With pyridine; thionyl chloride; In dichloromethane; benzene;
DOI:10.1021/jm00085a007