4-Methylphenyl 2-chloro-4-quinolinecarboxylate

Base Information

• Chemical Name: 4-Methylphenyl 2-chloro-4-quinolinecarboxylate
• CAS No.: 588694-56-8
• Molecular Formula: C17H12ClNO2
• Molecular Weight: 297.741
• DSSTox Substance ID: DTXSID101246743
• Mol file: 588694-56-8.mol

Synonyms:4-Methylphenyl 2-chloro-4-quinolinecarboxylate;DTXSID101246743;588694-56-8

Chemical Property of 4-Methylphenyl 2-chloro-4-quinolinecarboxylate

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.0556563
• Heavy Atom Count: 21
• Complexity: 368

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)Cl

Technology Process of 4-Methylphenyl 2-chloro-4-quinolinecarboxylate

There total 2 articles about 4-Methylphenyl 2-chloro-4-quinolinecarboxylate 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:

2-chloroquinoline-4-carboxylic acid (5467-57-2) → 2-chloro-quinoline-4-carboxylic acid p-tolyl ester (588694-56-8)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / 1 h / Heating

2: triethylamine / benzene / 1 h / Heating

With thionyl chloride; triethylamine; In benzene;

DOI:10.1023/A:1021258510259

Reference yield:

p-cresol (106-44-5) + 2-chloroquinoline-4-carbonyl chloride (2388-32-1) → 2-chloro-quinoline-4-carboxylic acid p-tolyl ester (588694-56-8)

Guidance literature:

With triethylamine; In benzene; for 1h; Heating;

DOI:10.1023/A:1021258510259

Reference yield: 83.0%

2-chloro-quinoline-4-carboxylic acid p-tolyl ester (588694-56-8) → 2-oxo-1,2-dihydro-quinoline-4-carboxylic acid p-tolyl ester

Guidance literature:

With sodium acetate; In acetic acid; for 1h; Heating;

DOI:10.1023/A:1021258510259

upstream raw materials:

p-cresol

2-chloroquinoline-4-carbonyl chloride

2-chloroquinoline-4-carboxylic acid