Ethyl N-propanethioylcarbamate

Base Information

• Chemical Name: Ethyl N-propanethioylcarbamate
• CAS No.: 59812-12-3
• Molecular Formula: C6H11NO2S
• Molecular Weight: 161.225
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70394706
• Wikidata: Q82194262
• Mol file: 59812-12-3.mol

Synonyms:N-(Ethoxycarbonyl)thiopropionamide;Ethyl N-propanethioylcarbamate;59812-12-3;ethyl propanethioylcarbamate;(1-Thioxopropyl)-ethyl ester;SCHEMBL10917733;DTXSID70394706;AKOS006278037;FT-0629281

Chemical Property of Ethyl N-propanethioylcarbamate

Chemical Property:

• Refractive Index: 1.498
• PSA: 70.42000
• Density: 1.112g/cm³
• LogP: 1.86080
• Solubility.: Dichloromethane, Ether
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 161.05104977
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99%, ^*data from raw suppliers

N-(Ethoxycarbonyl)thiopropionamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=S)NC(=O)OCC
• Uses: N-(Ethoxycarbonyl)thiopropionaMide can be used in the preparation of urea and carbamate derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors.

Technology Process of Ethyl N-propanethioylcarbamate

There total 1 articles about Ethyl N-propanethioylcarbamate 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:

ethylmagnesium bromide (925-90-6) + Ethoxycarbonyl isothiocyanate (16182-04-0) → thiopropionyl-carbamic acid ethyl ester (59812-12-3)

Guidance literature:

Reference yield: 76.0%

thiopropionyl-carbamic acid ethyl ester (59812-12-3) → 5-ethyl-2,4-dihydro-[1,2,4]triazol-3-one (931-37-3)

Guidance literature:

With hydrazine; In ethanol; at 20 - 80 ℃; for 2h;

Reference yield:

thiopropionyl-carbamic acid ethyl ester (59812-12-3) + ethanolamine (141-43-5) → 2-ethyl-4,5-dihydrooxazole (10431-98-8)

Guidance literature:

In ethanol; Heating;

DOI:10.1021/jo00423a011

upstream raw materials:

ethylmagnesium bromide

Ethoxycarbonyl isothiocyanate

Downstream raw materials:

2-ethyl-4,5-dihydrooxazole

5-ethyl-2,4-dihydro-[1,2,4]triazol-3-one