4-Chlorobenzhydryl chloride

Base Information

• Chemical Name: 4-Chlorobenzhydryl chloride
• CAS No.: 134-83-8
• Deprecated CAS: 60035-71-4
• Molecular Formula: C13H10Cl2
• Molecular Weight: 237.128
• Hs Code.: 29036990
• European Community (EC) Number: 205-158-6
• NSC Number: 49126
• UNII: LC0K0NYJ2N
• DSSTox Substance ID: DTXSID80874382
• Nikkaji Number: J136.597E
• Wikidata: Q27282907
• Mol file: 134-83-8.mol

Synonyms:4-chlorobenzhydryl chloride;p-chlorobenzhydryl chloride;p-chlorophenyl phenyl chloromethane;p-chlorophenyl-phenyl-methylchloride

Chemical Property of 4-Chlorobenzhydryl chloride

Chemical Property:

• Appearance/Colour: colorless or Off-yellow liquid
• Vapor Pressure: 7.67E-05mmHg at 25°C
• Refractive Index: n20/D 1.603(lit.)
• Boiling Point: 352.7 °C at 760 mmHg
• Flash Point: 146.9 °C
• PSA: 0.00000
• Density: 1.23 g/cm³
• LogP: 4.66820
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: IMMISCIBLE
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 236.0159557
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

98% ^*data from raw suppliers

1-Chloro-4-(chlorophenylmethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-36/37-36
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)Cl

Technology Process of 4-Chlorobenzhydryl chloride

There total 7 articles about 4-Chlorobenzhydryl 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: 95.0%

(4-chlorophenyl)phenylmethanol (119-56-2) → 1-chloro-4-(chloro(phenyl)methyl)benzene (134-83-8,60035-71-4)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1071/CH06163

Reference yield:

4-chlorobenzophenone (134-85-0) → 1-chloro-4-(chloro(phenyl)methyl)benzene (134-83-8,60035-71-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / sodium borohydride

2: 95 percent / hydrochloric acid / ethanol / Heating

With hydrogenchloride; sodium tetrahydroborate; In ethanol;

DOI:10.1071/CH06163

Reference yield:

4-chlorophenyl(phenyl)methane (831-81-2) → 1-chloro-4-(chloro(phenyl)methyl)benzene (134-83-8,60035-71-4)

Guidance literature:

With N-chloro-succinimide; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 1h; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.0c01000

upstream raw materials:

(4-chlorophenyl)phenylmethanol

hydrogenchloride

benzene

4-chlorobenzophenone

Downstream raw materials:

1,4-bis-(4-chloro-benzhydryl)-piperazine

chlorcyclizine

1-ethyl-4-(4-chloro-benzhydryl)-piperazine

1-butyl-4-(4-chloro-benzhydryl)-piperazine

Refernces

• 1、 Jiang, Jun-Rong,Xu, Feng,Wu, Han-Gui. "Synthesis and Anticancer Activity of 1-(1H -Indol-3-yl)-2-(4-diarylmethylpiperazine-1-yl)ethane-1,2-dione Derivatives". . . Retrieved 2016/08/04.
• 2、 Shivprakash,Reddy, G. Chandrasekara. "Stereoselective synthesis of (z)-1-benzhydryl-4-cinnamylpiperazines via the wittig reaction". supporting information. p. 600 - 609. Retrieved 2014/01/17.