3-Chloro-5,6-diphenylpyrazin-2(1h)-one

Base Information

• Chemical Name: 3-Chloro-5,6-diphenylpyrazin-2(1h)-one
• CAS No.: 25468-59-1
• Molecular Formula: C16H11 Cl N2 O
• Molecular Weight: 282.7243
• NSC Number: 129588
• DSSTox Substance ID: DTXSID00299356
• Wikidata: Q82041711
• Mol file: 25468-59-1.mol

Synonyms:25468-59-1;3-chloro-5,6-diphenylpyrazin-2(1h)-one;NSC129588;DTXSID00299356;NSC-129588

Chemical Property of 3-Chloro-5,6-diphenylpyrazin-2(1h)-one

Chemical Property:

• Vapor Pressure: 6.09E-10mmHg at 25°C
• Boiling Point: 482.7°Cat760mmHg
• Flash Point: 245.7°C
• Density: 1.28g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 282.0559907
• Heavy Atom Count: 20
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(N=C(C(=O)N2)Cl)C3=CC=CC=C3

Technology Process of 3-Chloro-5,6-diphenylpyrazin-2(1h)-one

There total 3 articles about 3-Chloro-5,6-diphenylpyrazin-2(1h)-one 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: 57.0%

5,6-diphenyl-2-hydroxypyrazine (18591-57-6) → 3-chloro-5,6-diphenyl-1H-pyrazin-2-one (25468-59-1)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; Ambient temperature;

Reference yield:

3-nitro-5,6-diphenyl-1H-pyrazin-2-one (25468-58-0) → 5,6-Dichloro-2,3-diphenylpyrazine (57038-62-7) + 3-chloro-5,6-diphenyl-1H-pyrazin-2-one (25468-59-1)

Guidance literature:

With sulfuric acid; trichlorophosphate;

DOI:10.1021/ja01597a057

Reference yield:

3-nitro-5,6-diphenyl-1H-pyrazin-2-one (25468-58-0) → 3-chloro-5,6-diphenyl-1H-pyrazin-2-one (25468-59-1)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01597a057

upstream raw materials:

3-nitro-5,6-diphenyl-1H-pyrazin-2-one

5,6-diphenyl-2-hydroxypyrazine

Downstream raw materials:

5,6-Dichloro-2,3-diphenylpyrazine