3-methyl-3,4-dihydro-1H-quinoxalin-2-one

Base Information

• Chemical Name: 3-methyl-3,4-dihydro-1H-quinoxalin-2-one
• CAS No.: 34070-68-3
• Molecular Formula: C9H10 N2 O
• Molecular Weight: 162.191
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00377067
• Nikkaji Number: J2.357.802F
• ChEMBL ID: CHEMBL4211780
• Mol file: 34070-68-3.mol

Synonyms:34070-68-3;3-methyl-3,4-dihydro-1H-quinoxalin-2-one;3-methyl-3,4-dihydro-2(1H)-quinoxalinone;3-Methyl-3,4-dihydroquinoxalin-2(1H)-one;3-methyl-1,2,3,4-tetrahydroquinoxalin-2-one;Oprea1_141365;SCHEMBL1101924;SCHEMBL8314713;CHEMBL4211780;DTXSID00377067;BEAJCHFCYQOFGS-UHFFFAOYSA-N;MFCD00231317;AKOS003000534;AKOS016050409;2J-532S;PB10143;SB46905;3-Methyl-3,4-dihydroquinoxaline-2(1H)-one;CS-0051283;FT-0680203;EN300-96167;(3S)-3-methyl-3,4-dihydro-1H-quinoxalin-2-one;10.14272/BEAJCHFCYQOFGS-UHFFFAOYSA-N.1;A822062;(3RS)-3-Methyl-3,4-dihydroquinoxalin-2(1H)-one;doi:10.14272/BEAJCHFCYQOFGS-UHFFFAOYSA-N.1;J-512846;Z1201619874

Chemical Property of 3-methyl-3,4-dihydro-1H-quinoxalin-2-one

Chemical Property:

• Vapor Pressure: 2.23E-05mmHg at 25°C
• Melting Point: 138-141°C
• Boiling Point: 360.4°C at 760 mmHg
• Flash Point: 170.3°C
• PSA: 41.13000
• Density: 1.119g/cm³
• LogP: 1.71510
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 162.079312947
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99%, ^*data from raw suppliers

3-Methyl-3,4-dihydro-1H-quinoxalin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC2=CC=CC=C2N1
• Uses: 3-Methyl-3,4-dihydro-1H-quinoxalin-2-one can be used as novel anti-cancer agents.

Technology Process of 3-methyl-3,4-dihydro-1H-quinoxalin-2-one

There total 4 articles about 3-methyl-3,4-dihydro-1H-quinoxalin-2-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: 52.0%

2-phenyl-1’H,5H-spiro[oxazole-4,2’-quinoxalin]-3’(4’H)-one (215191-49-4) → benzamide (55-21-0,27208-38-4) + 3,4-dihydro-3-methyl-1H-quinoxalin-2-one (34070-68-3)

Guidance literature:

With palladium on carbon; hydrogen; In ethanol; at 20 ℃; for 20h;

DOI:10.3987/COM-12-S(N)25

Reference yield:

pyruvic acid methyl ester (600-22-6) + 1,2-diamino-benzene (95-54-5) → 3-methyl-2-oxo-1,2-dihydroquinoxaline (14003-34-0) + 2-methyl-1,2,3,4-tetrahydroquinoxaline (6640-55-7,24463-30-7,24463-31-8,49849-47-0) + 3,4-dihydro-3-methyl-1H-quinoxalin-2-one (34070-68-3)

Guidance literature:

With Dimethylphenylsilane; tris(pentafluorophenyl)borate; In tetrahydrofuran; at 110 ℃; for 16h;

DOI:10.1039/c7gc03095a

Reference yield:

pyruvic acid methyl ester (600-22-6) + 1,2-diamino-benzene (95-54-5) → 3-methyl-2-oxo-1,2-dihydroquinoxaline (14003-34-0) + 3,4-dihydro-3-methyl-1H-quinoxalin-2-one (34070-68-3)

Guidance literature:

With 4-methoxyphenylboronic acid; In tetrahydrofuran; at 110 ℃; for 16h; Reagent/catalyst; Solvent;

DOI:10.1039/c7gc03095a

upstream raw materials:

2-phenyl-1’H,5H-spiro[oxazole-4,2’-quinoxalin]-3’(4’H)-one

pyruvic acid methyl ester

1,2-diamino-benzene

Downstream raw materials:

4-benzoyl-3-methyl-3,4-dihydroquinoxalin-2(1H)-one

2-methyl-1,2,3,4-tetrahydroquinoxaline

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