4-Acetyl-3'-chlorobiphenyl

Base Information

• Chemical Name: 4-Acetyl-3'-chlorobiphenyl
• CAS No.: 5002-13-1
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80398917
• Nikkaji Number: J1.646.503H
• Mol file: 5002-13-1.mol

Synonyms:5002-13-1;4-Acetyl-3'-chlorobiphenyl;1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethanone;1-[4-(3-chlorophenyl)phenyl]ethanone;3'-Chloro-4-acetylbiphenyl;3-Chloro-4'-acetylbiphenyl;SCHEMBL10799811;DTXSID80398917;MFCD04039061;AKOS004114106;AS-17996;BB 0222542;CS-0452996;FT-0730202;1-(3'-Chloro[1,1-biphenyl]-4-yl)ethanone;1-(3'-CHLORO-BIPHENYL-4-YL)-ETHANONE;1-(3'-chloro[1,1'-biphenyl]-4-yl)ethanone;A871683;1-(3'-Chloro-[1,1'-biphenyl]-4-yl)ethan-1-one;1-(3'-Chloro[1,1'-biphenyl]-4-yl)ethan-1-one

Chemical Property of 4-Acetyl-3'-chlorobiphenyl

Chemical Property:

• Boiling Point: 356.4 °C at 760 mmHg
• Flash Point: 194.4 °C
• PSA: 17.07000
• Density: 1.163 g/cm³
• LogP: 4.20960
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

4-Acetyl-3''-chlorobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)Cl

Technology Process of 4-Acetyl-3'-chlorobiphenyl

There total 10 articles about 4-Acetyl-3'-chlorobiphenyl 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%

3-chlorophenylboronic acid (63503-60-6) + para-bromoacetophenone (99-90-1) → 1-(3'-chlorobiphenyl-4-yl)ethanone (5002-13-1)

Guidance literature:

With Pd/C; potassium carbonate; In ethanol; water; at 100 ℃; for 3h;

DOI:10.1002/cctc.201700738

Reference yield: 92.0%

para-bromoacetophenone (99-90-1) + tetrabutylammonium (3-chlorophenyl)trifluoroborate → 1-(3'-chlorobiphenyl-4-yl)ethanone (5002-13-1)

Guidance literature:

With caesium carbonate; 1,4-di(diphenylphosphino)-butane; palladium diacetate; In 1,2-dimethoxyethane; water; at 50 ℃; for 24h;

DOI:10.1016/S0040-4039(01)01983-9

Reference yield: 74.0%

4-Iodoacetophenone (13329-40-3) + di(3-chlorophenyl)(difluoro)silane (21993-28-2) → 1-(3'-chlorobiphenyl-4-yl)ethanone (5002-13-1)

Guidance literature:

With potassium fluoride; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; at 70 ℃; for 43h;

DOI:10.1016/S0040-4020(01)85554-X

upstream raw materials:

4-Iodoacetophenone

di(3-chlorophenyl)(difluoro)silane

m-chlorobiphenyl

acetyl chloride

Downstream raw materials:

3'-chloro-[1,1'-biphenyl]-4-carboxylic acid

Refernces

• 1、 -. "Mono-arylation method of dichlorobenzene compounds". Paragraph 0024; 0026; 0028; 0029. . Retrieved 2018/05/16.
• 2、 Jia, Xuefeng,Zhao, Fang. "Novel phosphorus-coordinated palladium(II) complexes derived from 3,5-disubstituted-1H-1,2,4-diazaphospholes: Synthesis and catalytic application in Suzuki-Miyaura cross-coupling reactions". . p. 145 - 149. Retrieved 2017/03/09.