3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide

Base Information

• Chemical Name: 3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide
• CAS No.: 67602-10-2
• Molecular Formula: C₁₁H₉N₃O₂
• Molecular Weight: 215.211
• NSC Number: 157056
• DSSTox Substance ID: DTXSID80303162
• Wikidata: Q82048314
• Mol file: 67602-10-2.mol

Synonyms:67602-10-2;3-oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide;2-oxo-6-phenyl-1H-pyrazine-3-carboxamide;3-hydroxy-5-phenyl-2-pyrazinecarboxamide;3-Hydroxy-5-phenylpyrazine-2-carboxamide;NSC157056;Oprea1_744962;SCHEMBL11146891;DTXSID80303162;ITBVPOQBGPPMDO-UHFFFAOYSA-N;MFCD00665502;AKOS005104626;9F-335S;NSC-157056;AC-907/30063037

Chemical Property of 3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide

Chemical Property:

• Vapor Pressure: 2.66E-14mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 585.4 °C at 760 mmHg
• Flash Point: 307.8 °C
• PSA: 88.84000
• Density: 1.4 g/cm³
• LogP: 1.23610
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.069476538
• Heavy Atom Count: 16
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(C(=O)N2)C(=O)N
• Uses: 3-Hydroxy-5-phenylpyrazine-2-carboxamide is a building block related to Favipiravir(F103350). Favipiravir is used for the treatment of advanced Ebola virus infection in a small animal model. Favipiravir suppressed the replication of Zaire Ebola virus and prevented a lethal outcome in 100% of the animals. Based on the studies, Favipiravir can be a candidate for the treatment of Ebola hemorrhagic fever.

Technology Process of 3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide

There total 2 articles about 3-Oxo-5-phenyl-3,4-dihydropyrazine-2-carboxamide 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:

phenylglyoxal hydrate (1074-12-0) → 3-oxo-5-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid amide (67602-10-2)

Guidance literature:

With sodium hydrogensulfite; und anschliessenden Erwaermen mit Aminomalonsaeure-diamid;

DOI:10.1093/chromsci/40.9.523

Reference yield:

→ 3-Hydroxy-5-phenylpyrazin-2-carboxamid (67602-10-2)

Guidance literature:

Phenylglyoxalhydrat, Aminomalonamid; neben Isomer 18;

Reference yield:

3-oxo-5-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid amide (67602-10-2) → 3-oxo-5-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid (41270-60-4)

Guidance literature:

With sodium hydroxide; at 150 ℃;

DOI:10.1093/chromsci/40.9.523

upstream raw materials:

phenylglyoxal hydrate

Downstream raw materials:

3-oxo-5-phenyl-3,4-dihydro-pyrazine-2-carboxylic acid