3-(4-Bromophenyl)-2-chloroquinoline

Base Information

• Chemical Name: 3-(4-Bromophenyl)-2-chloroquinoline
• CAS No.: 85274-82-4
• Molecular Formula: C15H9 Br Cl N
• Molecular Weight: 318.6
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90526961
• Wikidata: Q82395959
• Mol file: 85274-82-4.mol

Synonyms:3-(4-Bromophenyl)-2-chloroquinoline;85274-82-4;DTXSID90526961;3-(4-bromophenyl)-2-chloro-quinoline;SB72532;A841278

Chemical Property of 3-(4-Bromophenyl)-2-chloroquinoline

Chemical Property:

• Vapor Pressure: 1.7E-06mmHg at 25°C
• Boiling Point: 408°C at 760 mmHg
• Flash Point: 200.6°C
• PSA: 12.89000
• Density: 1.515g/cm³
• LogP: 5.31770
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 316.96069
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Bromophenyl)-2-chloroquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=N2)Cl)C3=CC=C(C=C3)Br

Technology Process of 3-(4-Bromophenyl)-2-chloroquinoline

There total 2 articles about 3-(4-Bromophenyl)-2-chloroquinoline 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: 99.0%

C15H10BrNO (1200688-13-6) → 3-(4-Bromo-phenyl)-2-chloro-quinoline (85274-82-4)

Guidance literature:

C₁₅H₁₀BrNO; With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In dichloromethane; at 0 ℃; Inert atmosphere;

With tetrabutyl-ammonium chloride; In dichloromethane; at 40 ℃; for 15h; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.09.096

Reference yield:

2-(4-bromophenyl)-N-phenylacetamide (85274-93-7) + Vilsmeier reagent → 3-(4-Bromo-phenyl)-2-chloro-quinoline (85274-82-4)

Guidance literature:

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

DOI:10.1021/jm00395a013

Reference yield:

2-(N,N-dimethylamino)ethylthiol hydrochloride (13242-44-9) + 3-(4-Bromo-phenyl)-2-chloro-quinoline (85274-82-4) → {2-[3-(4-Bromo-phenyl)-quinolin-2-ylsulfanyl]-ethyl}-dimethyl-amine (110487-13-3)

Guidance literature:

With sodium hydride; Multistep reaction; 1.) DMF, RT, 1 h, 2.) DMF, 75 deg C, 5 h;

DOI:10.1021/jm00395a013

upstream raw materials:

2-(4-bromophenyl)-N-phenylacetamide

C₁₅H₁₀BrNO

Downstream raw materials:

{2-[3-(4-Bromo-phenyl)-quinolin-2-ylsulfanyl]-ethyl}-dimethyl-amine

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