Ethyl 2-[(ethoxycarbonyl)thio]acetate

Base Information

• Chemical Name: Ethyl 2-[(ethoxycarbonyl)thio]acetate
• CAS No.: 52790-15-5
• Molecular Formula: C₇H₁₂O₄S
• Molecular Weight: 192.236
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90383970
• Nikkaji Number: J329.152I
• Wikidata: Q82175815
• Mol file: 52790-15-5.mol

Synonyms:52790-15-5;ETHYL 2-[(ETHOXYCARBONYL)THIO]ACETATE;Ethyl [(Ethoxycarbonyl)thio]acetate;ethyl 2-ethoxycarbonylsulfanylacetate;Ethyl 2-((ethoxycarbonyl)thio)acetate;Ethyl [(ethoxycarbonyl)sulphanyl]acetate;ethyl 2-[(ethoxycarbonyl)sulfanyl]acetate;SCHEMBL18113081;DTXSID90383970;MFCD00662532;AKOS005199198;Ethyl [(ethoxycarbonyl)sulfanyl]acetate;(Ethoxycarbonylthio)acetic acid ethyl ester;CS-0319891;Ethyl 2-[(ethoxycarbonyl)sulphanyl]ethanoate;FT-0698535

Chemical Property of Ethyl 2-[(ethoxycarbonyl)thio]acetate

Chemical Property:

• PSA: 77.90000
• LogP: 1.43920
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 192.04563003
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl[(Ethoxycarbonyl)thio]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CSC(=O)OCC

Technology Process of Ethyl 2-[(ethoxycarbonyl)thio]acetate

There total 1 articles about Ethyl 2-[(ethoxycarbonyl)thio]acetate 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:

chloroformic acid ethyl ester (541-41-3) + ethyl 2-sulfanylacetate (623-51-8) → O-Ethyl S-ethoxycarbonylmethyl thiocarbonate (52790-15-5)

Guidance literature:

With pyridine;

Reference yield:

O-Ethyl S-ethoxycarbonylmethyl thiocarbonate (52790-15-5) → 2-Oxo-4-(2-oxo-propylsulfanyl)-3-phenyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester (133615-35-7)

Guidance literature:

Multi-step reaction with 2 steps

1: t-BuOK / dimethylformamide / 3 h

2: dimethylformamide

With potassium tert-butylate; In N,N-dimethyl-formamide;

Reference yield:

O-Ethyl S-ethoxycarbonylmethyl thiocarbonate (52790-15-5) → 4-Cyanomethylsulfanyl-2-oxo-3-phenyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester (133615-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: t-BuOK / dimethylformamide / 3 h

2: dimethylformamide

With potassium tert-butylate; In N,N-dimethyl-formamide;

upstream raw materials:

chloroformic acid ethyl ester

ethyl 2-sulfanylacetate

Downstream raw materials:

non-2c-enoic acid ethyl ester

ethyl (2E)-non-2-enoate

(Z)-Aethyl-2-mercaptocinnamat

ethyl cinnamate

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