2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one
• CAS No.: 30095-50-2
• Molecular Formula: C9H8BrClO2
• Molecular Weight: 263.518
• European Community (EC) Number: 896-757-7
• Mol file: 30095-50-2.mol

Synonyms:2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one;30095-50-2;2-bromo-1-(3-chloro-4-methoxyphenyl)ethanone;Bromomethyl 3-chloro-4-methoxyphenyl ketone;SCHEMBL2166529;OIMMLGVIZOHKSH-UHFFFAOYSA-N;AKOS002325952;CS-0257035;EN300-65879

Chemical Property of 2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 261.93962
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CBr)Cl

Technology Process of 2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one

There total 7 articles about 2-Bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one 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: 88.0%

4-acetyl-2-chloroanisole (37612-52-5) → 2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one (30095-50-2)

Guidance literature:

With hydrogenchloride; bromine; In acetic acid; for 2h; Ambient temperature;

DOI:10.1021/jm950664x

Reference yield: 56.0%

→ 2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one (30095-50-2)

Guidance literature:

With bromine; In chloroform; at 0 ℃; for 4h;

Reference yield: 45.5%

2-Chloroanisole (766-51-8) + 2-Bromoacetyl bromide (598-21-0) → 2-bromo-1-(3-chloro-4-methoxyphenyl)ethan-1-one (30095-50-2)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 1.5h; Cooling with ice;

upstream raw materials:

4-acetyl-2-chloroanisole

3-chloro-4-methoxy benzoic acid

3-Chloro-4,N-dimethoxy-N-methyl-benzamide

2-Chloroanisole

Downstream raw materials:

2-Amino-4-(3-chloro-4-methoxyphenyl)thiazole