Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester

Base Information

Chemical Name:Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
CAS No.:132172-94-2
Molecular Formula:C15H16N2O2
Molecular Weight:256.2997
Hs Code.:
DSSTox Substance ID:DTXSID00157407
Nikkaji Number:J477.930D
Wikidata:Q83025556
ChEMBL ID:CHEMBL19137

Synonyms:4-tert-Butylphenyl pyrazinoate;Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester;132172-94-2;BRN 5340584;(4-tert-butylphenyl) pyrazine-2-carboxylate;CHEMBL19137;SCHEMBL10421022;DTXSID00157407

Suppliers and Price of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester

Supply Marketing:

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

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Chemical Property of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester

Chemical Property:

Vapor Pressure:5.7E-06mmHg at 25°C
Boiling Point:379.8°Cat760mmHg
Flash Point:183.5°C
Density:1.134g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:256.121177757
Heavy Atom Count:19
Complexity:304

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=NC=CN=C2

Technology Process of Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester

There total 3 articles about Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl 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: 72.0%

: 19847-10-0
pyrazinoyl chloride

: 98-54-4
para-tert-butylphenol

: 132172-94-2
4-tert-butylphenyl pyrazinoate

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

Reference yield: 72.0%

: 132172-94-2
4-tert-butylphenyl pyrazinoate

Guidance literature:

Reference yield:

: 98-97-5
2-pyrazylcarboxylic acid

: 132172-94-2
4-tert-butylphenyl pyrazinoate

Guidance literature:: Multi-step reaction with 2 steps

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

2: 72 percent / pyridine / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) RT, overnight

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