Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate
• CAS No.: 63910-18-9
• Molecular Formula: C6H7NO3S2
• Molecular Weight: 205.25500
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80494165
• Mol file: 63910-18-9.mol

Synonyms:Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate;63910-18-9;Ethyl 4-oxo-2-sulfanylidene-1,3-thiazolidine-5-carboxylate;ethyl 4-oxo-2-thioxo-1,3-thiazolidine-5-carboxylate;DTXSID80494165;AKOS016013894;FT-0714629;EN300-28816;Ethyl4-oxo-2-thioxothiazolidine-5-carboxylate;Z235350485

Chemical Property of Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate

Chemical Property:

• PSA: 116.28000
• LogP: 0.34190
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 204.98673543
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-oxo-2-thioxothiazolidine-5-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(=O)NC(=S)S1

Technology Process of Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate

There total 2 articles about Ethyl 4-oxo-2-thioxothiazolidine-5-carboxylate 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:

diethyl 2-chloromalonate (14064-10-9) + ammonium dithiocarbamate (513-74-6) → 4-oxo-2-thioxo-thiazolidine-5-carboxylic acid ethyl ester (63910-18-9)

Guidance literature:

DOI:10.1021/ja01607a076

Reference yield:

diethyl 2-chloromalonate (14064-10-9) + water (7732-18-5) + ammonium dithiocarbamate (513-74-6) → 4-oxo-2-thioxo-thiazolidine-5-carboxylic acid ethyl ester (63910-18-9)

Guidance literature:

DOI:10.1021/ja01607a076

Reference yield:

4-oxo-2-thioxo-thiazolidine-5-carboxylic acid ethyl ester (63910-18-9) + methyl iodide (74-88-4) → 5-ethoxycarbonyl-3-methyl-2-methylsulfanyl-4-oxo-4,5-dihydro-thiazolium betaine (63910-16-7)

Guidance literature:

In chloroform; Multistep reaction; Heating; EtN(iPr)2;

upstream raw materials:

diethyl 2-chloromalonate

ammonium dithiocarbamate

water

Downstream raw materials:

5-ethoxycarbonyl-3-methyl-2-methylsulfanyl-4-oxo-4,5-dihydro-thiazolium betaine