6-Bromo-2-chloro-3-phenylquinoline

Base Information

• Chemical Name: 6-Bromo-2-chloro-3-phenylquinoline
• CAS No.: 85274-48-2
• Molecular Formula: C15H9BrClN
• Molecular Weight: 318.6
• Hs Code.: 2933499090
• European Community (EC) Number: 804-536-3
• DSSTox Substance ID: DTXSID30526960
• Wikidata: Q82395958
• Mol file: 85274-48-2.mol

Synonyms:6-Bromo-2-chloro-3-phenylquinoline;85274-48-2;SCHEMBL1786939;DTXSID30526960;KRUZBMLYYUQATF-UHFFFAOYSA-N;MFCD09997952;CS-0459024;6-Bromo-2-chloro-3-phenylquinoline, AldrichCPR

Chemical Property of 6-Bromo-2-chloro-3-phenylquinoline

Chemical Property:

• Vapor Pressure: 1.26E-06mmHg at 25°C
• Boiling Point: 412.2oC at 760 mmHg
• Flash Point: 203.1oC
• 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: 280

Purity/Quality:

99% ^*data from raw suppliers

6-Bromo-2-chloro-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: C1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl

Technology Process of 6-Bromo-2-chloro-3-phenylquinoline

There total 10 articles about 6-Bromo-2-chloro-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: 90.8%

6-bromo-2-chloro-3-iodoquinoline (916429-26-0) + phenylboronic acid (98-80-6) → 6-bromo-2-chloro-3-phenylquinoline (85274-48-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In water; toluene; at 80 ℃;

DOI:10.1002/cmdc.201600441

Reference yield: 88.0%

6-bromo-3-phenylquinolin-2(1H)-one (110486-57-2) → 6-bromo-2-chloro-3-phenylquinoline (85274-48-2)

Guidance literature:

With thionyl chloride; In chloroform; N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1248/cpb.35.2819

Reference yield: 53.0%

6-bromo-3,4-dihydro-3-phenylcarbostyril (113092-91-4) → 6-Bromo-3-chloro-3-phenyl-3,4-dihydro-1H-quinolin-2-one (113093-16-6) + 6-bromo-3-phenylquinolin-2(1H)-one (110486-57-2) + 6-bromo-2-chloro-3-phenylquinoline (85274-48-2)

Guidance literature:

With phosphorus pentachloride; In benzene; for 4h; Heating;

DOI:10.1248/cpb.35.2819

upstream raw materials:

6-bromo-3,4-dihydro-3-phenylcarbostyril

6-bromo-3-phenylquinolin-2(1H)-one

3-phenyl-1,2,3,4-tetrahydro-2-quinolone

(E)-2-phenyl-3-(2-nitrophenyl)propenoic acid

Downstream raw materials:

6-Bromo-2-(4-methyl-piperazin-1-yl)-3-phenyl-quinoline

2-[4-(6-Bromo-3-phenyl-quinolin-2-yl)-piperazin-1-yl]-ethanol

C₂₆H₂₂BrClF₂N₂O

C₂₇H₂₂ClN₃O₂

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