Carbamic acid, benzyldithio-, benzyl ester

Base Information

• Chemical Name: Carbamic acid, benzyldithio-, benzyl ester
• CAS No.: 1149-51-5
• Molecular Formula: C15H15 N S2
• Molecular Weight: 273.423
• DSSTox Substance ID: DTXSID40150896
• Nikkaji Number: J1.482.328J
• Mol file: 1149-51-5.mol

Synonyms:Benzyldithiocarbamic acid benzyl ester;CARBAMIC ACID, BENZYLDITHIO-, BENZYL ESTER;BRN 2418298;K 47;Carbamodithioic acid, (phenylmethyl)-, phenylmethyl ester;1149-51-5;DTXSID40150896;LS-48959

Chemical Property of Carbamic acid, benzyldithio-, benzyl ester

Chemical Property:

• Vapor Pressure: 3.6E-07mmHg at 25°C
• Boiling Point: 417.2°C at 760 mmHg
• Flash Point: 206.1°C
• Density: 1.203g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 273.06459183
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=S)SCC2=CC=CC=C2

Technology Process of Carbamic acid, benzyldithio-, benzyl ester

There total 4 articles about Carbamic acid, benzyldithio-, 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: 92.0%

carbon disulfide (75-15-0,12122-00-8) + benzyl chloride (100-44-7) + benzylamine (100-46-9) → benzyl benzylaminocarbodithioate (1149-51-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h;

DOI:10.1016/S0040-4039(01)00132-0

Reference yield: 75.0%

carbon disulfide (75-15-0,12122-00-8) + toluene (108-88-3,15644-74-3,16713-13-6) + benzylamine (100-46-9) → benzyl benzylaminocarbodithioate (1149-51-5)

Guidance literature:

toluene; With tert.-butylhydroperoxide; N-Bromosuccinimide; In neat (no solvent); at 20 ℃; for 2h;

carbon disulfide; benzylamine; In neat (no solvent); at 20 ℃; for 5h;

DOI:10.1016/j.tet.2014.04.041

Reference yield: 74.0%

carbon disulfide (75-15-0,12122-00-8) + benzylamine (100-46-9) + benzyl alcohol (100-51-6,185532-71-2) → benzyl benzylaminocarbodithioate (1149-51-5)

Guidance literature:

With iodine; In neat (no solvent); at 0 - 80 ℃; for 0.583333h;

DOI:10.1016/j.tetlet.2020.152382

upstream raw materials:

carbon disulfide

benzyl chloride

benzylamine

toluene

Refernces

• 1、 Guntreddi, Tirumaleswararao,Vanjari, Rajeshwer,Singh, Krishna Nand. "Direct conversion of methylarenes into dithiocarbamates, thioamides and benzyl esters". . p. 3887 - 3892. Retrieved 2014/06/09.
• 2、 Salvatore, Ralph N.,Sahab, Suma,Jung, Kyung Woon. "Mild and efficient synthesis of thiocarbonates and thiocarbamates via a three-component coupling utilizing Cs2CO3 and TBAI". . p. 2055 - 2058. Retrieved 2007/10/03.