3,4-Dimethylquinolin-2(1h)-one

Base Information

• Chemical Name: 3,4-Dimethylquinolin-2(1h)-one
• CAS No.: 17336-90-2
• Molecular Formula: C11H11NO
• Molecular Weight: 0
• Hs Code.: 2933790090
• NSC Number: 108444
• DSSTox Substance ID: DTXSID00296229
• Nikkaji Number: J102.436A
• Wikidata: Q82036710
• Mol file: 17336-90-2.mol

Synonyms:3,4-dimethylquinolin-2(1h)-one;17336-90-2;3,4-Dimethylcarbostyril;3,4-dimethyl-1H-quinolin-2-one;3,4-Dimethyl-2(1H)-quinolinone;Carbostyril, 3,4-dimethyl-;dimethylquinolone;NSC108444;Carbostyril,4-dimethyl-;3,4-dimethyl-quinolin-2-ol;SCHEMBL6220014;SCHEMBL13467803;2(1H)-Quinolinone,4-dimethyl-;DTXSID00296229;3,4-Dimethyl-2(1H)-quinolinone #;NSC-108444

Chemical Property of 3,4-Dimethylquinolin-2(1h)-one

Chemical Property:

• Vapor Pressure: 4.96E-05mmHg at 25°C
• Boiling Point: 348.7°C at 760 mmHg
• Flash Point: 205.1°C
• PSA: 33.12000
• Density: 1.095g/cm³
• LogP: 2.55720
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.084063974
• Heavy Atom Count: 13
• Complexity: 267

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)NC2=CC=CC=C12)C

Technology Process of 3,4-Dimethylquinolin-2(1h)-one

There total 20 articles about 3,4-Dimethylquinolin-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: 86.0%

bis(trichloromethyl) carbonate (32315-10-9) + 2-(2-aminophenyl)but-2-ene (133901-59-4) → 3,4-dimethylquinolin-2(1H)-one (17336-90-2)

Guidance literature:

With triethylamine; In dichloromethane; at 60 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.3987/COM-20-14232

Reference yield: 84.0%

carbon dioxide (124-38-9,18923-20-1) + 2-(2-aminophenyl)but-2-ene (133901-59-4) → 3,4-dimethylquinolin-2(1H)-one (17336-90-2)

Guidance literature:

With sodium t-butanolate; In diethylene glycol dimethyl ether; at 140 ℃; for 24h; under 760.051 Torr; Glovebox; Schlenk technique;

DOI:10.1002/anie.201602095

Reference yield: 43.0%

C11H11N → 3,4-dimethylquinolin-2(1H)-one (17336-90-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;

DOI:10.1246/cl.2000.798

upstream raw materials:

2-methyl-3-oxo-N-phenylbutanamide

propionic acid-(2-acetyl-anilide)

2-acetylpropanoic acid ethyl ester

aniline