Carbamic acid, dimethyldithio-, acetonyl ester

Base Information

• Chemical Name: Carbamic acid, dimethyldithio-, acetonyl ester
• CAS No.: 19204-12-7
• Molecular Formula: C6H11NOS2
• Molecular Weight: 177.291
• DSSTox Substance ID: DTXSID50172761
• Nikkaji Number: J62.074B
• Wikidata: Q83042843
• Mol file: 19204-12-7.mol

Synonyms:Dimethyldithiocarbamic acid acetonyl ester;CARBAMIC ACID, DIMETHYLDITHIO-, ACETONYL ESTER;BRN 1762966;19204-12-7;Carbamodithioic acid, dimethyl-, 2-oxopropyl ester;4-04-00-00237 (Beilstein Handbook Reference);2-oxopropyl N,N-dimethylcarbamodithioate;acetonyl dimethyldithiocarbamate;SCHEMBL11525010;DTXSID50172761;2-Oxopropyl-N,N-dimethylcarbamodithioate;LS-49518;1-[(dimethylcarbamothioyl)sulfanyl]propan-2-one

Chemical Property of Carbamic acid, dimethyldithio-, acetonyl ester

Chemical Property:

• Vapor Pressure: 0.0468mmHg at 25°C
• Boiling Point: 236.6°C at 760 mmHg
• Flash Point: 96.9°C
• Density: 1.174g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 177.02820632
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CSC(=S)N(C)C

Technology Process of Carbamic acid, dimethyldithio-, acetonyl ester

There total 8 articles about Carbamic acid, dimethyldithio-, acetonyl 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: 88.0%

chloroacetone (78-95-5) + sodium dimethyldithiocarbamate (128-04-1) → 1-(dimethylaminothiocarbonylthio)propan-2-one (19204-12-7)

Guidance literature:

In methanol; Ambient temperature;

DOI:10.1246/bcsj.61.3205

Reference yield: 84.0%

Thiram (137-26-8,93196-73-7) + acetone (67-64-1) → 1-(dimethylaminothiocarbonylthio)propan-2-one (19204-12-7)

Guidance literature:

With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; at 30 ℃; for 24h; Neat (no solvent);

DOI:10.1016/j.tet.2012.05.124

Reference yield: 25.0%

3-(dimethylthiocarbamoylthio)-2,4-pentanedione (90087-93-7) → 1-(dimethylaminothiocarbonylthio)propan-2-one (19204-12-7) + (S)-(+)-1-(dimethylthiocarbamoylthio)-2-propanol (120158-16-9) + (S)-(+)-1-(dimethylthiocarbamoylthio)-2-propanol

Guidance literature:

With ammonium dihydrogen phosphate; potassium dihydrogenphosphate; D-glucose; magnesium sulfate; calcium carbonate; baker's yeast; In water; at 35 ℃; for 96h; Yields of byproduct given;

DOI:10.1246/bcsj.61.3205

upstream raw materials:

chloroacetone

sodium dimethyldithiocarbamate

carbon disulfide

dimethyl amine

Downstream raw materials:

dimethyl-dithiocarbamic acid-(2-hydroxyimino-propyl ester)

Refernces

• 1、 Tsuboi, Sadao,Kohara, Noriyuki,Doi, Katsumi,Utaka, Masanori,Takeda, Akira. "Asymmetric Reduction of α-(Dimethylthiocarbamoylthio) Carbonyl Compounds with Bakers' Yeast". . p. 3205 - 3210. Retrieved 2007/10/02.