3-(2-oxopropyl)quinoxalin-2(1H)-one

Base Information

• Chemical Name: 3-(2-oxopropyl)quinoxalin-2(1H)-one
• CAS No.: 14003-37-3
• Molecular Formula: C11H10 N2 O2
• Molecular Weight: 202.213
• European Community (EC) Number: 683-575-6
• NSC Number: 99074
• DSSTox Substance ID: DTXSID60930697
• Wikidata: Q82906113
• Mol file: 14003-37-3.mol

Synonyms:14003-37-3;3-(2-oxopropyl)quinoxalin-2(1H)-one;1-(3-hydroxyquinoxalin-2-yl)propan-2-one;3-(2-oxopropyl)-1H-quinoxalin-2-one;3-(2-oxopropyl)-1,2-dihydroquinoxalin-2-one;NSC99074;SCHEMBL6842955;DTXSID60930697;2-acetylmethyl-3-hydroxyquinoxaline;BBL029600;NSC-99074;STK650515;STL373459;AKOS005581400;AKOS015939559;VS-09320;CS-0328786;1-(3-HYDROXY-QUINOXALIN-2-YL)-PROPAN-2-ONE;F2185-0193

Chemical Property of 3-(2-oxopropyl)quinoxalin-2(1H)-one

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 62.82000
• Density: 1.29g/cm³
• LogP: 1.05460
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

1-(3-HYDROXY-QUINOXALIN-2-YL)-PROPAN-2-ONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=NC2=CC=CC=C2NC1=O

Technology Process of 3-(2-oxopropyl)quinoxalin-2(1H)-one

There total 5 articles about 3-(2-oxopropyl)quinoxalin-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: 91.0%

quinoxalin-2(1)-one (1196-57-2) + acetone (67-64-1) → 3-(2-oxopropyl)-2(1H)-quinoxalinone (14003-37-3)

Guidance literature:

dimethyl sulfate; Heating;

DOI:10.1055/s-1983-30259

Reference yield: 67.5%

1,2-diamino-benzene (95-54-5) + ethyl 2,4-diketopentanoate (615-79-2) → 2-Acetylmethyl-3-hydroxyquinoxaline (14003-37-3)

Guidance literature:

DOI:10.1007/BF00757962

Reference yield: 45.0%

1,2,3,4-tetrahydroquinoxalin-2-one (59564-59-9) + acetone (67-64-1) → quinoxalin-2(1)-one (1196-57-2) + 3-(2-oxopropyl)-2(1H)-quinoxalinone (14003-37-3)

Guidance literature:

With dibenzoyl peroxide; for 1h; Mechanism; Product distribution; Heating; other conditions, other ketones;

upstream raw materials:

1,2-diamino-benzene

ethyl 2,4-diketopentanoate

quinoxalin-2⁽¹⁾-one

acetone

Downstream raw materials:

3-[4t-(4-methoxy-phenyl)-2-oxo-but-3-enyl]-1H-quinoxalin-2-one

2-Chloro-3-((E)-2-chloro-propenyl)-quinoxaline

3-acetonyl-1-benzoyl-1H-quinoxalin-2-one

3-(2-oxo-4-phenyl-but-3-enyl)-1H-quinoxalin-2-one

Refernces

• 1、 Goswami, M.,Borthakur, N.. "Reaction of Acetone with 2-Ketotetrahydroquinoxaline under Free Radical Conditions: An Easy Synthesis of 3-(2-Oxopropyl)-2(1H)-quinoxalinone". . p. 525 - 526. Retrieved 2007/10/02.
• 2、 Hayashi,Suzuki. "Quinoxalines. XVIII. The reaction of 2 quinoxalinecarbonitrile 4 oxide with ketones (Japanese)". . p. 878 - 881. Retrieved 2007/10/08.