2-Chloro-6-methoxy-3-phenylquinoline

Base Information

• Chemical Name: 2-Chloro-6-methoxy-3-phenylquinoline
• CAS No.: 85274-57-3
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• Hs Code.: 2933499090
• European Community (EC) Number: 804-533-7
• DSSTox Substance ID: DTXSID10416178
• Nikkaji Number: J747.557H
• Wikidata: Q82225365
• ChEMBL ID: CHEMBL69163
• Mol file: 85274-57-3.mol

Synonyms:2-chloro-6-methoxy-3-phenylquinoline;85274-57-3;Quinoline-Containing Inhibitor 13;CHEMBL69163;BDBM5179;DTXSID10416178;MFCD09998016;6-Methoxy-2-chloro-3-phenylquinoline;CS-0459025;2-Chloro-6-methoxy-3-phenylquinoline, AldrichCPR

Chemical Property of 2-Chloro-6-methoxy-3-phenylquinoline

Chemical Property:

• Vapor Pressure: 2.91E-06mmHg at 25°C
• Boiling Point: 400.6°C at 760 mmHg
• Flash Point: 196.1°C
• PSA: 22.12000
• Density: 1.237g/cm³
• LogP: 4.56380
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 269.0607417
• Heavy Atom Count: 19
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-6-methoxy-3-phenylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3

Technology Process of 2-Chloro-6-methoxy-3-phenylquinoline

There total 4 articles about 2-Chloro-6-methoxy-3-phenylquinoline 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:

4-methoxy-aniline (104-94-9) → 2-Chloro-6-methoxy-3-phenyl-quinoline (85274-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 2 h / Ambient temperature

2: POCl₃ / 4 h / 90 °C

With pyridine; trichlorophosphate; In dichloromethane;

DOI:10.1021/jm950727b

Reference yield:

phenylacetyl chloride (103-80-0) → 2-Chloro-6-methoxy-3-phenyl-quinoline (85274-57-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / CH₂Cl₂ / 2 h / Ambient temperature

2: POCl₃ / 4 h / 90 °C

With pyridine; trichlorophosphate; In dichloromethane;

DOI:10.1021/jm950727b

Reference yield:

N-(4-methoxyphenyl)-2-phenylacetamide (50916-21-7) + Vilsmeier reagent → 2-Chloro-6-methoxy-3-phenyl-quinoline (85274-57-3)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide;

DOI:10.1021/jm00395a013

upstream raw materials:

N-(4-methoxyphenyl)-2-phenylacetamide

N,N-dimethyl-formamide

4-methoxy-aniline

phenylacetyl chloride

Downstream raw materials:

[2-(6-Methoxy-3-phenyl-quinolin-2-ylsulfanyl)-ethyl]-dimethyl-amine

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