7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid

Base Information

• Chemical Name: 7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid
• CAS No.: 500346-26-9
• Molecular Formula: C₁₇H₁₂ClNO₂
• Molecular Weight: 297.741
• NSC Number: 400903,40306
• DSSTox Substance ID: DTXSID80285050
• Wikidata: Q82020278
• ChEMBL ID: CHEMBL1565327
• Mol file: 500346-26-9.mol

Synonyms:7-chloro-8-methyl-2-phenylquinoline-4-carboxylic acid;Y-0452

Chemical Property of 7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.21E-10mmHg at 25°C
• Refractive Index: 1.672
• Boiling Point: 495.7°C at 760 mmHg
• Flash Point: 253.6°C
• PSA: 50.19000
• Density: 1.336g/cm³
• LogP: 4.56180
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 297.0556563
• Heavy Atom Count: 21
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

7-Chloro-8-methyl-2-phenylquinoline-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC=CC=C3)Cl

Technology Process of 7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid

There total 1 articles about 7-Chloro-8-methyl-2-phenylquinoline-4-carboxylic acid 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:

benzaldehyde (100-52-7) + 3-chloro-2-methylbenzenamine (87-60-5) + 2-oxo-propionic acid (127-17-3) → 7-chloro-8-methyl-2- phenylquinoline-4-carboxylic acid (500346-26-9)

Guidance literature:

With ethanol;

DOI:10.1021/ja01213a041

Reference yield:

7-chloro-8-methyl-2- phenylquinoline-4-carboxylic acid (500346-26-9) → 7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl chloride (6338-22-3)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01213a041

Reference yield:

7-chloro-8-methyl-2- phenylquinoline-4-carboxylic acid (500346-26-9) → 2-bromo-1-(7-chloro-8-methyl-2-phenyl-[4]quinolyl)-ethanol

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂

2: dichloromethane / anschliessend Behandeln mit wss.Bromwasserstoffsaeure und Aether

3: aluminium isopropylate; isopropyl alcohol

With thionyl chloride; dichloromethane; aluminum isopropoxide; isopropyl alcohol;

DOI:10.1021/ja01213a041

upstream raw materials:

benzaldehyde

3-chloro-2-methylbenzenamine

2-oxo-propionic acid

Downstream raw materials:

7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl chloride

2-bromo-1-(7-chloro-8-methyl-2-phenyl-[4]quinolyl)-ethanone