4-Chloro-1-phenylquinolin-2-one

Base Information

• Chemical Name: 4-Chloro-1-phenylquinolin-2-one
• CAS No.: 110254-63-2
• Molecular Formula: C15H10 Cl N O
• Molecular Weight: 255.703
• DSSTox Substance ID: DTXSID10359531
• Nikkaji Number: J2.289.361K
• Wikidata: Q82140780
• ChEMBL ID: CHEMBL1866730
• Mol file: 110254-63-2.mol

Synonyms:4-chloro-1-phenylquinolin-2-one;4-chloro-1-phenylquinolin-2(1H)-one;110254-63-2;4-chloro-1-phenyl-1,2-dihydroquinolin-2-one;MLS001164633;CHEMBL1866730;DTXSID10359531;HMS2855E13;BBL028405;STK741259;4-Chlor- 1-phenyl-2(1H)-chinolon;AKOS000271665;4-chloro-1-phenyl-2(1H)-quinolinone;SMR000539841;VS-08756;CS-0366658

Chemical Property of 4-Chloro-1-phenylquinolin-2-one

Chemical Property:

• Vapor Pressure: 1.38E-06mmHg at 25°C
• Melting Point: 138-141 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 399.4°Cat760mmHg
• PKA: -5.06±0.40(Predicted)
• Flash Point: 195.3°C
• PSA: 22.00000
• Density: 1.35g/cm³
• LogP: 3.64410
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 255.0450916
• Heavy Atom Count: 18
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

4-chloro-1-phenylquinolin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC2=O)Cl

Technology Process of 4-Chloro-1-phenylquinolin-2-one

There total 2 articles about 4-Chloro-1-phenylquinolin-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: 94.0%

4-hydroxy-1-phenylquinolin-2(1H)-one (14994-75-3) → 4-chloro-1-phenyl-2(1H)-quinolone (110254-63-2)

Guidance literature:

With trichlorophosphate; In 1,4-dioxane; at 120 ℃; for 0.416667h; microwave irradiation;

DOI:10.1021/jo052283p

Reference yield:

diphenylamine (122-39-4) → 4-chloro-1-phenyl-2(1H)-quinolone (110254-63-2)

Guidance literature:

Multi-step reaction with 2 steps

1: PPA / 160 °C

2: trichlorophosphate / Reflux

With trichlorophosphate;

DOI:10.1016/j.bmc.2021.116168

Reference yield: 95.0%

mercaptoacetic acid (68-11-1) + 4-chloro-1-phenyl-2(1H)-quinolone (110254-63-2) → (2-Oxo-1-phenyl-1,2-dihydro-quinolin-4-ylsulfanyl)-acetic acid (166191-74-8)

Guidance literature:

With potassium carbonate; triethylamine; In methanol; for 8h; Heating;

upstream raw materials:

4-hydroxy-1-phenylquinolin-2(1H)-one

diphenylamine

Downstream raw materials:

4-Azido-1-phenyl-2(1H)-chinolon

(2-Oxo-1-phenyl-1,2-dihydro-quinolin-4-ylsulfanyl)-acetic acid

3-Hydroxy-5-phenyl-5H-thieno[3,2-c]quinolin-4-one