DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER

Base Information

• Chemical Name: DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER
• CAS No.: 3052-61-7
• Molecular Formula: C12H17NS2
• Molecular Weight: 239.406
• Hs Code.: 2930909090
• Mol file: 3052-61-7.mol

Synonyms:Carbamic acid, diethyldithio-,benzyl ester (6CI,7CI,8CI);Carbamodithioic acid,diethyl-, phenylmethyl ester (9CI);Benzyl N,N-diethyldithiocarbamate;Benzyl diethyldithiocarbamate;Cabac;S-Benzyl N,N-diethyldithiocarbamate;

Chemical Property of DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER

Chemical Property:

• Refractive Index: 1.6170-1.6200
• Boiling Point: 331.7 °C at 760 mmHg
• PKA: 0.93±0.50(Predicted)
• Flash Point: 154.4 °C
• PSA: 60.63000
• Density: 1.116 g/cm³
• LogP: 3.54650

Purity/Quality:

98%,99%, ^*data from raw suppliers

DiethyldithiocarbamicAcidBenzylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Diethyldithiocarbamic Acid Benzyl Ester is a dithiocarbomate-based iniferters.

Technology Process of DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER

There total 12 articles about DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER 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: 97.0%

carbon disulfide (75-15-0,12122-00-8) + benzyl chloride (100-44-7) + diethylamine (109-89-7) → N,N-diethylaminodithiocarboxylic acid benzyl ester (3052-61-7)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1021/ol0620141

Reference yield: 95.0%

N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate (260783-80-0) + sodium N,N-diethyldithiocarbamate (148-18-5) → N,N-diethylaminodithiocarboxylic acid benzyl ester (3052-61-7)

Guidance literature:

With copper(l) iodide; In acetonitrile; at 80 ℃; for 18h;

Reference yield: 92.0%

carbon disulfide (75-15-0,12122-00-8) + diethylamine (109-89-7) + benzyl alcohol (100-51-6,185532-71-2) → N,N-diethylaminodithiocarboxylic acid benzyl ester (3052-61-7)

Guidance literature:

With iodine; In neat (no solvent); at 0 - 80 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2020.152382

upstream raw materials:

sodium N,N-diethyldithiocarbamate

benzyl chloride

carbon disulfide

diethylamine

Downstream raw materials:

S-benzyl N,N-diethylthiolcarbamate

Refernces

• 1、 -. "Synthetic method of dialkyl amino dithiocarbamate alkyl ester". Paragraph 0010-0016. . Retrieved 2020/02/04.
• 2、 Peng, Han-Ying,Dong, Zhi-Bing. "Transition-Metal-Free C(sp3)–S Coupling in Water: Synthesis of Benzyl Dithiocarbamates Using Thiuram Disulfides as an Organosulfur Source". . p. 949 - 956. Retrieved 2018/11/27.