1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone

Base Information

• Chemical Name: 1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone
• CAS No.: 3114-09-8
• Molecular Formula: C9H8BrClO2
• Molecular Weight: 263.518
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00368915
• Wikidata: Q82155808
• Mol file: 3114-09-8.mol

Synonyms:1-(3-bromo-4-methoxyphenyl)-2-chloroethanone;3114-09-8;1-(3-bromo-4-methoxyphenyl)-2-chloroethan-1-one;1-(3-Bromo-4-methoxy-phenyl)-2-chloro-ethanone;Ethanone, 1-(3-bromo-4-methoxyphenyl)-2-chloro-;SCHEMBL9157426;DTXSID00368915;MFCD06362445;AKOS008967606;NCGC00323166-01;CS-0222615;EN300-11196;AB01318868-02;AB01318868-03;SR-01000059674;SR-01000059674-1;Z57040445

Chemical Property of 1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone

Chemical Property:

• PSA: 26.30000
• LogP: 2.87920
• XLogP3: 2.9
• 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:

95% ^*data from raw suppliers

1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)CCl)Br

Technology Process of 1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone

There total 4 articles about 1-(3-Bromo-4-methoxyphenyl)-2-chloroethanone 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: 60.0%

2-bromoanisole (578-57-4) + acetyl chloride (75-36-5) → 3-bromo-4-methoxychloroacetophenone (3114-09-8)

Guidance literature:

With aluminium trichloride; at 40 ℃; for 3h;

DOI:10.1007/BF02219246

Reference yield: 53.0%

2-bromoanisole (578-57-4) → 3-bromo-4-methoxychloroacetophenone (3114-09-8)

Guidance literature:

DOI:10.3987/com-99-8721

Reference yield:

2-bromoanisole (578-57-4) + chloroacetyl chloride (79-04-9) → 3-bromo-4-methoxychloroacetophenone (3114-09-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 2h;

upstream raw materials:

2-bromoanisole

acetyl chloride

chloroacetyl chloride

Downstream raw materials:

1-(3-bromo-4-methoxy-phenyl)-2-chloro-ethanol

(S)-1-[4-methoxy-3-bromophenyl]-2-chloro ethanol

C₂₃H₂₈N₆O₃

C₂₇H₃₄N₆O₃