6-Acetyl-3,4-dihydroquinolin-2(1H)-one

Base Information

• Chemical Name: 6-Acetyl-3,4-dihydroquinolin-2(1H)-one
• CAS No.: 62245-12-9
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.21
• European Community (EC) Number: 862-545-8
• DSSTox Substance ID: DTXSID50538520
• Wikidata: Q82413947

Synonyms:62245-12-9;6-Acetyl-3,4-dihydroquinolin-2(1H)-one;6-acetyl-1,2,3,4-tetrahydroquinolin-2-one;6-acetyl-3,4-dihydro-1H-quinolin-2-one;6-Acetyl-3,4-dihydro-2(1H)-quinolinone;SCHEMBL6776207;DTXSID50538520;FXPPYJRCOQZMIL-UHFFFAOYSA-N;MFCD09034969;AKOS000162987;AS-36780;CS-0248879;EN300-41784;AB01000140-01;Z285150684

Chemical Property of 6-Acetyl-3,4-dihydroquinolin-2(1H)-one

Chemical Property:

• Melting Point: 161.0-162.0 °C
• Boiling Point: 429.2±45.0 °C(Predicted)
• PKA: 14.20±0.20(Predicted)
• Density: 1.180±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 262

Purity/Quality:

95+% ^*data from raw suppliers

6-Acetyl-3,4-dihydro-2(1H)-quinolinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)CC2

Technology Process of 6-Acetyl-3,4-dihydroquinolin-2(1H)-one

There total 5 articles about 6-Acetyl-3,4-dihydroquinolin-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: 96.0%

3-(2-amino-5-acetylphenyl)-1-propanol (746622-09-3) → 6-acetyl-3,4-dihydro-2(1H)-quinolinone (62245-12-9)

Guidance literature:

With potassium carbonate; [pentamethylcyclopentadienylRhCl₂]2; In acetone; at 100 ℃; for 20h;

DOI:10.1021/ol0489954

Reference yield: 76.0%

3,4-dihydro-2(1H)-quinolone (553-03-7) + acetyl chloride (75-36-5) → 6-acetyl-3,4-dihydro-2(1H)-quinolinone (62245-12-9)

Guidance literature:

With aluminium trichloride; In carbon disulfide; for 18h; Heating;

DOI:10.1021/jm00082a002

Reference yield:

4-amino-3-iodobenzoic acid methyl ester (19718-49-1) → 6-acetyl-3,4-dihydro-2(1H)-quinolinone (62245-12-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 66 percent / Et₃N; CuI / PdCl₂(PPh₃)2 / 4.5 h / 20 °C

2: 48 percent / H₂ / Pd/C / methanol / 50 h / 20 °C

3: 96 percent / K₂CO₃ / [pentamethylcyclopentadienylRhCl₂]2 / acetone / 20 h / 100 °C

With copper(l) iodide; hydrogen; potassium carbonate; triethylamine; bis-triphenylphosphine-palladium(II) chloride; palladium on activated charcoal; [pentamethylcyclopentadienylRhCl₂]2; In methanol; acetone;

DOI:10.1021/ol0489954

upstream raw materials:

3,4-dihydro-2(1H)-quinolone

acetyl chloride

3-(2-amino-5-acetylphenyl)-1-propanol

4-amino-3-iodobenzoic acid methyl ester

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