1-Benzyl-2-chlorobenzene

Base Information

• Chemical Name: 1-Benzyl-2-chlorobenzene
• CAS No.: 29921-41-3
• Molecular Formula: C13H11Cl
• Molecular Weight: 202.683
• Hs Code.: 2903999090
• European Community (EC) Number: 674-043-4
• DSSTox Substance ID: DTXSID9073460
• Nikkaji Number: J650.486H
• Wikidata: Q82001895
• Mol file: 29921-41-3.mol

Synonyms:1-Benzyl-2-chlorobenzene;2-Chlorodiphenylmethane;29921-41-3;benzene, 1-chloro-2-(phenylmethyl)-;o-chlorodiphenylmethane;1-chloro-2-benzylbenzene;Diphenylmethane, 2-chloro;SCHEMBL4423210;DTXSID9073460;Benzene,1-chloro-2-(phenylmethyl)-;MFCD00079728;AKOS015907689;FS-4979;4-Formyl-N-[1-(methyl)ethyl]benzamide;FT-0676303;A820111;InChI=1/C13H11Cl/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H

Chemical Property of 1-Benzyl-2-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.00383mmHg at 25°C
• Melting Point: 13.2 °C
• Refractive Index: 1.583
• Boiling Point: 289.4 °C at 760 mmHg
• Flash Point: 122 °C
• PSA: 0.00000
• Density: 1.121 g/cm³
• LogP: 3.93080
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 202.0549280
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2Cl

Technology Process of 1-Benzyl-2-chlorobenzene

There total 45 articles about 1-Benzyl-2-chlorobenzene 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: 92.0%

2-Chlorobenzyl alcohol (17849-38-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (o-benzyl)chlorobenzene (29921-41-3)

Guidance literature:

With indium(III) triflate; 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide; at 120 ℃; for 1.5h; Microwave irradiation; Green chemistry;

DOI:10.1139/cjc-2013-0290

Reference yield: 91.0%

iodobenzene (591-50-4) + 2-chlorobenzaldehyde hydrazone (52372-78-8) → (o-benzyl)chlorobenzene (29921-41-3)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene; trimethylphosphane; In tetrahydrofuran; at 50 ℃; for 36h; Sealed tube; Inert atmosphere;

DOI:10.1039/c7cc09290c

Reference yield: 85.0%

2-bromo-1-chlorobenzene (694-80-4) + benzyl boronic acid MIDA ester → (o-benzyl)chlorobenzene (29921-41-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In tetrahydrofuran; water; at 80 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/ol500057a

upstream raw materials:

Diphenylmethane

(2-chlorophenyl)(phenyl)methanol

(2-chlorophenyl)(phenyl)methanone

benzyl bromide

Downstream raw materials:

2-(Fluorenyl-⁽⁹⁾)-diphenylmethan

1-(4-(tert-butyl)benzyl)-2-chlorobenzene

C₁₇H₁₉Cl

2-Chlor-4'-acetyldiphenylmethan

Refernces

• 1、 Gu, Xianmo,Sun, Xichen,Wang, Yunwei,Zhang, Jin,Zheng, Zhanfeng,Zhu, Pengqi. "Multifunctional oxygen vacancies in WO3–x for catalytic alkylation of C–H by alcohols under red-light". . p. 208 - 217. Retrieved 2021/09/06.
• 2、 Andrews, Ryan J.,Chitnis, Saurabh S.,Stephan, Douglas W.. "Carbonyl and olefin hydrosilylation mediated by an air-stable phosphorus(iii) dication under mild conditions". supporting information. p. 5599 - 5602. Retrieved 2019/05/21.