Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl ester

Base Information

• Chemical Name: Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl ester
• CAS No.: 56409-14-4
• Molecular Formula: C6H11NO2S
• Molecular Weight: 161.225
• DSSTox Substance ID: DTXSID30480831
• Nikkaji Number: J1.457.585E
• Wikidata: Q82315931

Synonyms:56409-14-4;Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl ester;DTXSID30480831

Chemical Property of Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl ester

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 161.05104977
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(=S)NC

Technology Process of Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl ester

There total 1 articles about Propanoic acid, 3-(methylamino)-3-thioxo-, ethyl 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:

Lawessons reagent (19172-47-5,94367-93-8) + N-hydroxy-N-methyl-2-carbetoxyethanamide (156025-63-7) → C13H18NO6PS + 2-carboethoxy-N-methyl-acetamide (71510-95-7) + ethyl 3-(methylamino)-3-thioxopropanoate (56409-14-4) + (4-methoxyphenyl)phosphonothioic O,O'-acid (858128-33-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1002/hc.20259

Reference yield: 36.0%

ethyl 3-(methylamino)-3-thioxopropanoate (56409-14-4) + methyl 2-(4-methylbenzylidene)-3-oxobutanoate (107634-95-7) → 5-ethyl-3-methyl-4-methyl-6-(methylamino)-2-(4-methylphenyl)-2H-thiopyran-3,5-dicarboxylate

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 0 ℃;

DOI:10.1002/jhet.5570370628

upstream raw materials:

Lawessons reagent

N-hydroxy-N-methyl-2-carbetoxyethanamide

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