Carbamic acid, benzyldithio-, ethyl ester

Base Information

• Chemical Name: Carbamic acid, benzyldithio-, ethyl ester
• CAS No.: 1950-20-5
• Molecular Formula: C₁₀H₁₃NS₂
• Molecular Weight: 211.352
• DSSTox Substance ID: DTXSID70173154
• Nikkaji Number: J2.394.457J
• Mol file: 1950-20-5.mol

Synonyms:CARBAMIC ACID, BENZYLDITHIO-, ETHYL ESTER;Ethyl benzyldithiocarbamate;Benzyldithiocarbamic acid ethyl ester;Ethyl (phenylmethyl)carbamodithioate;1950-20-5;BRN 3257626;Carbamodithioic acid, (phenylmethyl)-, ethyl ester;C10H13NS2;DTXSID70173154;LS-48962

Chemical Property of Carbamic acid, benzyldithio-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.00024mmHg at 25°C
• Boiling Point: 324.8°Cat760mmHg
• Flash Point: 150.2°C
• Density: 1.154g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 211.04894177
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=S)NCC1=CC=CC=C1

Technology Process of Carbamic acid, benzyldithio-, ethyl ester

There total 2 articles about Carbamic acid, benzyldithio-, ethyl 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: 82.0%

carbon disulfide (75-15-0,12122-00-8) + ethyl iodide (75-03-6) + benzylamine (100-46-9) → benzyl-dithiocarbamic acid ethyl ester (1950-20-5)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1021/ol0620141

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + ethyl bromide (74-96-4) + benzylamine (100-46-9) → benzyl-dithiocarbamic acid ethyl ester (1950-20-5)

Guidance literature:

With potassium phosphate; Yield given. Multistep reaction; 1.) acetone, 10 deg C, 1 h, 2.) room temperature;

DOI:10.1080/00397919808005722

Reference yield: 89.0%

benzyl-dithiocarbamic acid ethyl ester (1950-20-5) + benzoic acid hydrazide (613-94-5) → N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine (23282-97-5)

Guidance literature:

With water; triethylamine; for 18h; Reflux;

DOI:10.1016/j.tetlet.2009.11.100

upstream raw materials:

carbon disulfide

ethyl bromide

benzylamine

ethyl iodide

Downstream raw materials:

3-benzyl-1-[2]pyridyl-2-thioxo-imidazolidin-4-one

(Z)-ethyl 2-oxopropyl benzyldithioimidocarbonate

C₁₄H₁₂N₄S

N-benzyl-5-phenyl-1,3,4-thiadiazole-2-amine

Refernces

• 1、 Li, Run-Tao,Ding, Ping-Yu,Han, Mei,Cai, Meng-Shen. "A simple one-pot preparation of dithiocarbamates in the presence of anhydrous potassium phosphate". . p. 295 - 300. Retrieved 2007/10/03.