Carbamic acid, 3-dimethylaminopropyldithio-

Base Information

• Chemical Name: Carbamic acid, 3-dimethylaminopropyldithio-
• CAS No.: 18997-72-3
• Molecular Formula: C6H14N2S2
• Molecular Weight: 178.323
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20172435
• Nikkaji Number: J23.421D
• ChEMBL ID: CHEMBL2008413
• Mol file: 18997-72-3.mol

Synonyms:18997-72-3;3-(dimethylamino)propylcarbamodithioic acid;3-Dimethylaminopropyldithiocarbamic acid;CARBAMIC ACID, 3-DIMETHYLAMINOPROPYLDITHIO-;BRN 2239045;N-(3-Dimethylaminopropyl)dithiocarbamic acid;[3-(Dimethylamino)propyl]dithiocarbamic acid;CHEMBL2008413;SCHEMBL11143215;DTXSID20172435;LS-49434;NCI60_001054;Carbamodithioic acid, [3-(dimethylamino)propyl]-

Chemical Property of Carbamic acid, 3-dimethylaminopropyldithio-

Chemical Property:

• Vapor Pressure: 0.0568mmHg at 25°C
• Boiling Point: 233.1°Cat760mmHg
• Flash Point: 94.8°C
• PSA: 93.20000
• Density: 1.096g/cm³
• LogP: 1.15370
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.05984080
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCNC(=S)S

Technology Process of Carbamic acid, 3-dimethylaminopropyldithio-

There total 1 articles about Carbamic acid, 3-dimethylaminopropyldithio- 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: 96.0%

carbon disulfide (75-15-0,12122-00-8) + 1-amino-3-(dimethylamino)propane (109-55-7) → N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure (18997-72-3)

Guidance literature:

In methanol; at 10 - 20 ℃; for 2h; Solvent; Temperature;

Reference yield: 91.0%

N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure (18997-72-3) → 3-(dimethylamino)propyl isothiocyanate (27421-70-1)

Guidance literature:

With chloroformic acid ethyl ester; sodium carbonate; In dichloromethane; water; at -5 - 30 ℃; for 0.25h;

Reference yield:

N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure (18997-72-3) → N-(3-dimethylaminopropyl)-N-ethylcarbodiimide (1892-57-5,754131-18-5)

Guidance literature:

Multi-step reaction with 3 steps

1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 3 h / 10 - 15 °C

2: dichloromethane / 1 h / 10 - 15 °C

3: sodium hypochlorite; ethylenediaminetetraacetic acid / 30 °C

With sodium hypochlorite; ethylenediaminetetraacetic acid; chloroformic acid ethyl ester; triethylamine; In dichloromethane;

upstream raw materials:

carbon disulfide

1-amino-3-(dimethylamino)propane

Downstream raw materials:

3-(dimethylamino)propyl isothiocyanate

1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

Refernces

• 1、 -. "Method for preparing isothiocyanate from ethyl chloroformate". Paragraph 0042. . Retrieved 2018/05/16.
• 2、 Muftic,Hoyer. "Alkylaminoalkyl-dithiocarbamic acids, new drugs against Pityrosporum ovale.". . p. 1205 - 1207. Retrieved 2007/10/06.