1-(3-Methylquinoxalin-2-YL)ethanone

Base Information

• Chemical Name: 1-(3-Methylquinoxalin-2-YL)ethanone
• CAS No.: 22059-64-9
• Molecular Formula: C11H10N2O
• Molecular Weight: 186.213
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00496722
• Nikkaji Number: J2.961.414H
• Wikidata: Q82345775
• Mol file: 22059-64-9.mol

Synonyms:1-(3-METHYLQUINOXALIN-2-YL)ETHANONE;22059-64-9;1-(3-Methylquinoxalin-2-yl)ethan-1-one;3-Acetyl-2-methylquinoxaline-13C6;2-acetyl-3-methylquinoxaline;1-(3-methyl-2-quinoxalinyl)ethanone;3-Acetyl-2-methylquinoxaline;SCHEMBL4833903;DTXSID00496722;XAA05964;MFCD09864318;AKOS006283014;1-(3-Methylquinoxalin-2-yl)-ethanone;BS-37600;CS-0323975;1-(3-Methyl-2-quinoxalinyl)ethanone, AldrichCPR

Chemical Property of 1-(3-Methylquinoxalin-2-YL)ethanone

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 87-88 °C
• Boiling Point: 292.512oC at 760 mmHg
• PKA: -2.26±0.48(Predicted)
• Flash Point: 135.104oC
• PSA: 42.85000
• Density: 1.18g/cm3
• LogP: 2.14080
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

3-Acetyl-2-methylquinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=CC=CC=C2N=C1C(=O)C
• Uses: 3-Acetyl-2-methylquinoxaline is an intermediate in the synthesis of Desoxyquinocetone which is a metabolite of the veterinay drug Quinocetone.

Technology Process of 1-(3-Methylquinoxalin-2-YL)ethanone

There total 26 articles about 1-(3-Methylquinoxalin-2-YL)ethanone 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: 90.0%

Diacetyldiazomethan (29397-21-5) + 1,2-diamino-benzene (95-54-5) → 2-methyl-3-acetylquinoxaline (22059-64-9)

Guidance literature:

With iron(III) trifluoromethanesulfonate; In water; at 70 ℃; for 6h; Green chemistry;

DOI:10.1002/adsc.201600503

Reference yield: 89.0%

1,2-diamino-benzene (95-54-5) + acetylacetone (123-54-6,81235-32-7) → 2-methyl-3-acetylquinoxaline (22059-64-9)

Guidance literature:

With 4-toluenesulfonyl azide; Porcine Pancreas Lipase; hemoglobin from bovine blood; In water; at 55 ℃; for 6h; regioselective reaction; Green chemistry; Enzymatic reaction;

DOI:10.1021/acs.orglett.0c01186

Reference yield: 88.0%

3-methyl-2-acetylquinoxaline-1,4-dioxide (13297-17-1) → 2-methyl-3-acetylquinoxaline (22059-64-9)

Guidance literature:

With sodium dithionite; In ethanol; water; at 55 - 60 ℃;

upstream raw materials:

(1Z,4Z)-2,4-dimethyl-3H-benzo[b][1,4]diazepin-3-one oxime

o-phenylenediamine hydrochloride

2,3,4-pentanetrione

1,2-diamino-benzene

Downstream raw materials:

1-(3-methyl-2-quinoxalinyl)-3-phenyl-2-propen-1-one

1-(3-methyl-quinoxalin-2-yl)-ethanone phenylhydrazone

1-(3-methylquinoxalin-2-yl)ethan-1-ol

1-(1,4-dibenzoyl-3-methyl-1,2,3,4-tetrahydro-quinoxalin-2-yl)-ethanone