2-Bromophenylacetyl chloride

Base Information

• Chemical Name: 2-Bromophenylacetyl chloride
• CAS No.: 55116-09-1
• Molecular Formula: C8H6BrClO
• Molecular Weight: 233.492
• Hs Code.: 2916399090
• European Community (EC) Number: 628-347-9
• DSSTox Substance ID: DTXSID00399784
• Nikkaji Number: J28.757A
• Wikidata: Q82202510
• Mol file: 55116-09-1.mol

Synonyms:2-Bromophenylacetyl chloride;55116-09-1;2-(2-bromophenyl)acetyl Chloride;2-bromophenylacetylchloride;o-Bromophenylacetyl chloride;o-bromphenylacetyl chloride;2-bromophenylacetyl-chloride;2-bromophenyl-acetyl chloride;SCHEMBL310967;(2-bromophenyl)acetyl chloride;DTXSID00399784;RFPBUXOVSZEMSW-UHFFFAOYSA-N;2-Bromophenylacetyl chloride, 98%;AKOS000280365;AM87061;FT-0650265

Chemical Property of 2-Bromophenylacetyl chloride

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: n20/D 1.573(lit.)
• Boiling Point: 186 °C(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 1.57 g/mL at 25 °C(lit.)
• LogP: 2.75700
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromophenylacetyl chloride 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2-Bromophenylacetyl chloride

There total 3 articles about 2-Bromophenylacetyl chloride 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: 100.0%

ortho-bromophenylacetic acid (18698-97-0) → 2-bromophenylacetyl chloride (55116-09-1)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In dichloromethane; for 18h;

DOI:10.1021/jm00069a006

Reference yield:

2-bromophenylacetic acid (4870-65-9,31302-84-8) → 2-bromophenylacetyl chloride (55116-09-1)

Guidance literature:

With thionyl chloride;

Reference yield:

→ 2-bromophenylacetyl chloride (55116-09-1)

Guidance literature:

aus (2-Brom-phenyl)-essigsaeure, SOCl2;

upstream raw materials:

ortho-bromophenylacetic acid

2-bromophenylacetic acid

Downstream raw materials:

methyl-(1-(ortho-bromophenyl)ethyl)-ketone

N-Benzhydryliden-2-amino-1-phenyl-propan

2-(ortho-bromophenyl)-1-methylethylamine

benzhydrylidene-[2-(2-bromo-phenyl)-1-methyl-ethyl]-amine

Refernces

• 1、 Chang, Zhe,Crespi, Stefano,Feringa, Ben L.,Zhang, Yu,Zhao, Depeng,Zhao, Heng. "A Chemically Driven Rotary Molecular Motor Based on Reversible Lactone Formation with Perfect Unidirectionality". . p. 2420 - 2429. Retrieved 2020.
• 2、 Nam, Donggeon,Steck, Viktoria,Potenzino, Robert J.,Fasan, Rudi. "A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones". . p. 2221 - 2231. Retrieved 2021/02/16.
• 3、 Fang, Hai-Lian,He, Jie-Ling,Li, Wei-Yi,Liu, Shan-Shan,Ni, Wei-Wei,Pan, Xing-Ming,Xiao, Zhu-Ping,Ye, Ya-Xi,Yi, Juan,Zhou, Mi,Zhou, Tian-Li,Zhu, Hai-Liang. "N-monoarylacetothioureas as potent urease inhibitors: synthesis, SAR, and biological evaluation". . p. 404 - 413. Retrieved 2020/01/03.