1-Benzyl-2-(chloromethyl)benzene

Base Information

• Chemical Name: 1-Benzyl-2-(chloromethyl)benzene
• CAS No.: 7510-28-3
• Molecular Formula: C14H13Cl
• Molecular Weight: 216.71
• Hs Code.: 2903999090
• European Community (EC) Number: 231-367-7
• NSC Number: 405650
• UNII: 49PL4DM3QJ
• DSSTox Substance ID: DTXSID70226073
• Nikkaji Number: J307.853A
• Wikidata: Q83105353
• Mol file: 7510-28-3.mol

Synonyms:1-benzyl-2-(chloromethyl)benzene;7510-28-3;1-(Chloromethyl)-2-(phenylmethyl)benzene;C14H13Cl;49PL4DM3QJ;EINECS 231-367-7;NSC-405650;1-(CHLOROMETHYL)-2-BENZYLBENZENE;NSC405650;2-benzylbenzyl chloride;UNII-49PL4DM3QJ;2-Benzyl-alpha-chlorotoluene;SCHEMBL3821433;DTXSID70226073;MFCD12025181;AKOS015994940;NSC 405650;DS-16644;Benzene, 1-(chloromethyl)-2-(phenylmethyl)-;A865741;J-504259

Chemical Property of 1-Benzyl-2-(chloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.000669mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 318.5 °C at 760 mmHg
• Flash Point: 141.1 °C
• PSA: 0.00000
• Density: 1.102 g/cm³
• LogP: 4.01620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 216.0705781
• Heavy Atom Count: 15
• Complexity: 172

Purity/Quality:

98%, ^*data from raw suppliers

1-Benzyl-2-(chloromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2CCl

Technology Process of 1-Benzyl-2-(chloromethyl)benzene

There total 12 articles about 1-Benzyl-2-(chloromethyl)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: 85.0%

2-chloromethylbenzyl mesylate + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-(chloromethyl)-2-(phenylmethyl)benzene (7510-28-3)

Guidance literature:

lithium tetrakis(pentafluorophenyl)borate; at 20 ℃; for 10h;

DOI:10.1246/cl.2000.1010

Reference yield: 84.0%

2-(benzyl)benzyl alcohol (1586-00-1) → 1-(chloromethyl)-2-(phenylmethyl)benzene (7510-28-3)

Guidance literature:

With pyridine; thionyl chloride; for 4h; Heating;

DOI:10.1021/jo005716r

Reference yield: 67.0%

benzyl chloride (100-44-7) → (E)-1,2-diphenyl-ethene (103-30-0) + Chloro-1 diphenyl-1,2 ethane (4714-14-1,136904-76-2) + 4-benzylbenzyl chloride (14297-39-3) + tetraphenylthiophene (1884-68-0) + 1-(chloromethyl)-2-(phenylmethyl)benzene (7510-28-3) + 3,4-diphenyl-1,2-dithietan

Guidance literature:

With sulfur; at 230 ℃; for 4h; Product distribution; other time (1 h); further products identified;

DOI:10.1007/BF00958052

upstream raw materials:

2-(benzyl)benzyl alcohol

benzyl chloride

aluminium trichloride

nitrobenzene

Downstream raw materials:

2-(2-benzylphenyl)acetic acid

1-(2-benzylphenyl)-N,N-dimethylmethanamine

anthracene

Refernces

• 1、 -. "MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF". Page/Page column 84. . Retrieved 2008/12/07.
• 2、 Van Herwijnen,Brinker. "Meta selectivity in the Friedel-Crafts reaction induced by a faujasite-type zeolite". . p. 2874 - 2876. Retrieved 2007/10/03.