4-(3-bromopropyl)benzoyl Chloride

Base Information

• Chemical Name: 4-(3-bromopropyl)benzoyl Chloride
• CAS No.: 123876-53-9
• Molecular Formula: C10H10BrClO
• Molecular Weight: 261.546
• DSSTox Substance ID: DTXSID20463815
• Mol file: 123876-53-9.mol

Synonyms:4-(3-bromopropyl)benzoyl Chloride;123876-53-9;SCHEMBL6139457;DTXSID20463815;YGCGJAZXGLNVCY-UHFFFAOYSA-N

Chemical Property of 4-(3-bromopropyl)benzoyl Chloride

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 259.96036
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCBr)C(=O)Cl

Technology Process of 4-(3-bromopropyl)benzoyl Chloride

There total 7 articles about 4-(3-bromopropyl)benzoyl 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: 57.2%

4-(3-Bromo-propyl)-benzoic acid (6309-79-1) → 4-(3-Bromopropyl)-benzoyl chloride (123876-53-9)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

oxalyl dichloride (79-37-8) + 1-Bromo-3-phenylpropane (637-59-2) → 4-(3-Bromopropyl)-benzoyl chloride (123876-53-9)

Guidance literature:

With aluminum (III) chloride; In Trichloroethylene; at 20 ℃; for 0.5h; Solvent;

Reference yield:

1-(4-acetylphenyl)-3-bromopropane (41996-96-7) → 4-(3-Bromopropyl)-benzoyl chloride (123876-53-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / Br₂; NaOH

2: thionyl chloride

With sodium hydroxide; thionyl chloride; bromine;

DOI:10.1021/jp0312464

upstream raw materials:

4-(3-Bromo-propyl)-benzoic acid

1-(4-acetylphenyl)-3-bromopropane

1-Bromo-3-phenylpropane

4-(3-bromo-propyl)-benzoic acid methyl ester

Downstream raw materials:

3-[4-(3-(dibutylamino)propyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylic acid

4-(3-bromo-propyl)-benzoic acid methyl ester