Ethyl ethoxythiocarbonylcarbamate

Base Information

• Chemical Name: Ethyl ethoxythiocarbonylcarbamate
• CAS No.: 5585-23-9
• Molecular Formula: C6H11 N O3 S
• Molecular Weight: 177.224
• NSC Number: 79146
• DSSTox Substance ID: DTXSID80971249
• Nikkaji Number: J3.487.737H

Synonyms:Ethyl ethoxythiocarbonylcarbamate;ethyl N-ethoxycarbothioylcarbamate;5585-23-9;Thioimidodicarbonic acid ((HO)C(O)NHC(S)(OH)), diethyl ester;NSC79146;SCHEMBL4902117;ethyl N-carbethoxy-thiocarbamate;DTXSID80971249;IUQGNEBJNWBKCN-UHFFFAOYSA-N;NSC-79146;ethyl N-(ethoxymethanethioyl)carbamate;AKOS040695152;O-Ethyl N-(ethoxycarbonyl)thiocarbamate;Ethoxy(thiocarbonyl)carbamic acid ethyl ester;Ethyl hydrogen (ethoxycarbonothioyl)carbonimidate;F2199-0540

Chemical Property of Ethyl ethoxythiocarbonylcarbamate

Chemical Property:

• Vapor Pressure: 2.36E-09mmHg at 25°C
• Boiling Point: 479.4°Cat760mmHg
• Flash Point: 243.8°C
• Density: 1.323g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 177.04596439
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

Min98% HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(=S)OCC

Technology Process of Ethyl ethoxythiocarbonylcarbamate

There total 6 articles about Ethyl ethoxythiocarbonylcarbamate 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: 75.0%

ethanol (64-17-5) + Ethoxycarbonyl isothiocyanate (16182-04-0) → N-(ethoxythiocarbonyl)urethane (5585-23-9)

Guidance literature:

at 25 ℃; for 1h;

DOI:10.1021/acs.joc.5b01826

Reference yield: 61.0%

Ethoxycarbonyl isothiocyanate (16182-04-0) + 2-(1-ethoxy-ethylideneamino)-malonic acid dimethyl ester → 2-Methyl-5-thioxo-imidazole-1,4,4-tricarboxylic acid 1-ethyl ester 4,4-dimethyl ester + N-(ethoxythiocarbonyl)urethane (5585-23-9)

Guidance literature:

at 70 ℃; for 1.75h;

DOI:10.1016/S0040-4020(97)00295-0

Reference yield: 24.0%

ethanol (64-17-5) + ammonium thiocyanate (1147550-11-5) + chloroformic acid ethyl ester (541-41-3) → N-(ethoxythiocarbonyl)urethane (5585-23-9)

Guidance literature:

for 3.5h;

DOI:10.1021/acs.joc.5b01826

upstream raw materials:

ethanol

ammonium thiocyanate

chloroformic acid ethyl ester

thiourea

Downstream raw materials:

1,3-di-p-tolylurea

diethyl iminodicarboxylate

ethanol

thiocyanic acid

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