1-(Chloromethyl)-2-(3-chloropropyl)benzene

Base Information

• Chemical Name: 1-(Chloromethyl)-2-(3-chloropropyl)benzene
• CAS No.: 65349-63-5
• Molecular Formula: C10H12Cl2
• Molecular Weight: 203.111
• DSSTox Substance ID: DTXSID90494979
• Wikidata: Q82342781
• Mol file: 65349-63-5.mol

Synonyms:65349-63-5;1-(Chloromethyl)-2-(3-chloropropyl)benzene;2-(3-chloropropyl)benzyl chloride;3-(2-Chloromethylphenyl)-propyl chloride;SCHEMBL10505751;DTXSID90494979;NJOKEOCKKQCATL-UHFFFAOYSA-N;2-(3-chloropropyl)-benzyl chloride;(o-chloromethylphenyl)propyl chloride;2-(3-chloro propyl)-benzyl chloride;o-(chloro-methyl)phenylpropyl chloride

Chemical Property of 1-(Chloromethyl)-2-(3-chloropropyl)benzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 202.0316058
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCCCl)CCl

Technology Process of 1-(Chloromethyl)-2-(3-chloropropyl)benzene

There total 3 articles about 1-(Chloromethyl)-2-(3-chloropropyl)benzene 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:

3-[2-(hydroxymethyl)phenyl]propan-1-ol (136863-23-5) → 3-(2-Chloromethylphenyl)-propyl chloride (65349-63-5)

Guidance literature:

With thionyl chloride; chloroform; N,N-dimethyl-aniline;

DOI:10.1021/ja01105a009

Reference yield:

2-(2-carboxyethyl)benzoic acid (776-79-4) → 3-(2-Chloromethylphenyl)-propyl chloride (65349-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄; diethyl ether

2: N,N-dimethyl-aniline; chloroform; thionyl chloride

With lithium aluminium tetrahydride; thionyl chloride; diethyl ether; chloroform; N,N-dimethyl-aniline;

DOI:10.1021/ja01105a009

Reference yield:

→ 3-(2-Chloromethylphenyl)-propyl chloride (65349-63-5)

Guidance literature:

Homoisochroman, α,α,α'-Trichlordimethylether in Ggw. ZnCl2 <120grad>;

upstream raw materials:

3-[2-(hydroxymethyl)phenyl]propan-1-ol

2-(2-carboxyethyl)benzoic acid

Downstream raw materials:

4-(2-Bromomethylphenyl)-butyric acid ethyl ester

2-[2-(3-chloropropyl)benzyl]-1,3-cyclohexanedione

4-[2-(3-carbomethoxypropyl)phenyl]-2-butanone

4-[2-(3-carboxypropyl)phenyl]-2-butanone