2-methyl-2,3-dihydroquinolin-4(1H)-one

Base Information

• Chemical Name: 2-methyl-2,3-dihydroquinolin-4(1H)-one
• CAS No.: 30448-37-4
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50499809
• Nikkaji Number: J1.309.735F
• Mol file: 30448-37-4.mol

Synonyms:30448-37-4;2,3-dihydro-2-methyl-4(1h)-quinolinone;2-methyl-2,3-dihydroquinolin-4(1H)-one;4(1H)-Quinolinone, 2,3-dihydro-2-methyl-;2-methyl-2,3-dihydro-1H-quinolin-4-one;SCHEMBL6419356;DTXSID50499809;MFCD13179342;AKOS022530337;SB45038;AM803666;AS-39670;2-methyl-1,2,3,4-tetrahydroquinolin-4-one;CS-0038167;FT-0729506

Chemical Property of 2-methyl-2,3-dihydroquinolin-4(1H)-one

Chemical Property:

• Boiling Point: 301.4±22.0 °C(Predicted)
• PKA: 2.74±0.40(Predicted)
• PSA: 29.10000
• Density: 1.083±0.06 g/cm3(Predicted)
• LogP: 2.21140
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

98.5% ^*data from raw suppliers

2-Methyl-2,3-dihydroquinolin-4(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C2=CC=CC=C2N1

Technology Process of 2-methyl-2,3-dihydroquinolin-4(1H)-one

There total 4 articles about 2-methyl-2,3-dihydroquinolin-4(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: 50.0%

3-(phenylamino)butanoic acid (63492-84-2) → 2-methyl-2,3-dihydroquinolin-4(1H)-one (30448-37-4)

Guidance literature:

With PPA; at 110 ℃; for 6h;

DOI:10.1016/j.bmcl.2009.10.094

Reference yield:

aniline (62-53-3) → 2-methyl-2,3-dihydroquinolin-4(1H)-one (30448-37-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 20 h / Heating

2: polyphosphoric acid / 6 h / 110 °C

With PPA; In toluene;

Reference yield:

aniline (62-53-3) → 2-methyl-2,3-dihydroquinolin-4(1H)-one (30448-37-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 24 h / Reflux

2: polyphosphoric acid / 5 h / 110 °C

With polyphosphoric acid; In toluene;

DOI:10.1021/jm5010539

upstream raw materials:

3-(phenylamino)butanoic acid

aniline

Downstream raw materials:

4-hydroxy-2-methylquinoline

1,2,3,4-tetrahydro-2-methylquinoline

2,3-dimethyl-1,2,3,4-tetrahydroquinoline

1-(3,4-Dimethoxybenzoyl)-2-methyl-2,3-dihydro-4(1H)-quinolinone