BENZYL-ALPHA,ALPHA-D2 CHLORIDE

Base Information

• Chemical Name: BENZYL-ALPHA,ALPHA-D2 CHLORIDE
• CAS No.: 33712-34-4
• Molecular Formula: C7H5ClD2
• Molecular Weight: 128.57
• Mol file: 33712-34-4.mol

Synonyms:Toluene-α,α-d2, a-chloro- (6CI,7CI);Benzyl-α-d2 chloride;α,α-d2-Benzyl chloride;(Chloro-dideuterio-methyl)-benzene;

Chemical Property of BENZYL-ALPHA,ALPHA-D2 CHLORIDE

Chemical Property:

• Melting Point: -43 ºC
• Boiling Point: 177-181 ºC
• PSA: 0.00000
• Density: 1.117 g/mL at 25 °C
• LogP: 2.42540

Purity/Quality:

99% ^*data from raw suppliers

Benzyl-α,α-d2chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 45-22-23-37/38-41-48/22
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Benzyl-alpha-alpha-d2 Chloride is a is a reagend in the preparation of catechol derivatives for the aerobic oxidation of amines.

Technology Process of BENZYL-ALPHA,ALPHA-D2 CHLORIDE

There total 18 articles about BENZYL-ALPHA,ALPHA-D2 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: 90.0%

1,1-dideuteriophenylmethanol (21175-64-4) → benzyl-d2 chloride (33712-34-4)

Guidance literature:

With pyridine; thionyl chloride; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jo00136a014

Reference yield: 83.0%

2,2-dideuterio-2-phenyl-acetic acid (1076-07-9) → benzyl-d2 chloride (33712-34-4)

Guidance literature:

With lead(IV) acetate; lithium chloride; In benzene; 1) RT, 1 h 2) reflux, 1 h;

DOI:10.1016/S0008-6215(00)90747-X

Reference yield:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) → benzyl-d2 chloride (33712-34-4)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlD₄

2: thionyl chloride

With thionyl chloride; lithium aluminium deuteride;

DOI:10.1021/ol990204o

upstream raw materials:

1,1-dideuteriophenylmethanol

toluene-d₂

toluene-d3

1,3-diphenyl-2-propanone-1,1,3,3-d4

Downstream raw materials:

C₃₄H₂₈⁽²⁾H₈O₅

2,2-dideuterio-2-phenyl-acetic acid

2-phenylethyl-2,2-d2 phenyl sulfoxide

3-phenylpivalophenone-3-d2

Refernces

• 1、 Ge, Jing-Jie,Yao, Chuan-Zhi,Wang, Mei-Mei,Zheng, Hong-Xing,Kang, Yan-Biao,Li, Yadong. "Transition-Metal-Free Deacylative Cleavage of Unstrained C(sp3)-C(sp2) Bonds: Cyanide-Free Access to Aryl and Aliphatic Nitriles from Ketones and Aldehydes". supporting information. p. 228 - 231. Retrieved 2016/02/03.
• 2、 Chronakis, Nikos,Orfanopoulos, Michael. "Ene Reaction of Arylallyl Alkenes with C60. A Mechanistic Approach". . p. 1909 - 1912. Retrieved 2008/02/11.