Pyrazinecarboxamide, 5-benzoyl-

Base Information

• Chemical Name: Pyrazinecarboxamide, 5-benzoyl-
• CAS No.: 147425-80-7
• Molecular Formula: C12H9N3O2
• Molecular Weight: 227.222
• DSSTox Substance ID: DTXSID00333042
• Wikidata: Q82098093
• Mol file: 147425-80-7.mol

Synonyms:Pyrazinecarboxamide, 5-benzoyl-;5-Benzoylpyrazine-2-carboxamide;147425-80-7;DTXSID00333042

Chemical Property of Pyrazinecarboxamide, 5-benzoyl-

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 227.069476538
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CN=C(C=N2)C(=O)N

Technology Process of Pyrazinecarboxamide, 5-benzoyl-

There total 2 articles about Pyrazinecarboxamide, 5-benzoyl- 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: 81.0%

pyrazinamide (98-96-4) + Benzoylformic acid (611-73-4) → 5-benzoylpyrazinecarboxamide (147425-80-7)

Guidance literature:

With ammonium persulfate; sulfuric acid; silver nitrate; at 40 ℃; for 2h;

Reference yield: 40.0%

pyrazinamide (98-96-4) + benzaldehyde (100-52-7) → 5-benzoylpyrazinecarboxamide (147425-80-7)

Guidance literature:

With tert.-butylhydroperoxide; sulfuric acid; acetic acid; iron(II) sulfate; at 10 - 20 ℃; for 2h;

DOI:10.1016/S0014-827X(03)00163-0

Reference yield: 94.0%

5-benzoylpyrazinecarboxamide (147425-80-7) → 5-Benzoyl-pyrazine-2-carboxylic acid (118543-98-9)

Guidance literature:

With sodium hydroxide; for 10h; Heating;

DOI:10.1016/S0014-827X(03)00163-0

upstream raw materials:

pyrazinamide

Benzoylformic acid

benzaldehyde

Downstream raw materials:

5-Benzoyl-pyrazine-2-carboxylic acid

5-benzoyl-pyrazine-2-carbonitrile