Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate

Base Information

• Chemical Name: Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
• CAS No.: 80963-80-0
• Molecular Formula: C5H7NO2S2
• Molecular Weight: 177.24500
• DSSTox Substance ID: DTXSID90509471
• Wikidata: Q82367067
• Mol file: 80963-80-0.mol

Synonyms:80963-80-0;SCHEMBL9555980;DTXSID90509471;Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate;(-)-Methyl(R)-2-thioxothiazolidine-4-carboxylate

Chemical Property of Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate

Chemical Property:

• PSA: 95.72000
• LogP: 0.47810
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 176.99182081
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CSC(=S)N1
• Isomeric SMILES: COC(=O)[C@@H]1CSC(=S)N1

Technology Process of Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylate

There total 4 articles about Methyl (4R)-2-sulfanylidene-1,3-thiazolidine-4-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: 99.0%

methanol (67-56-1) + (4R)-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid (98169-56-3) → 4(S)-(methoxycarbonyl)-1,3-thiazolidine-2-thione (80963-80-0)

Guidance literature:

With titanium tetrachloride; at 20 ℃; for 12h; chemoselective reaction;

DOI:10.1016/j.tet.2014.01.006

Reference yield: 93.7%

(R)-3-Hexadecanoyl-2-thioxo-thiazolidine-4-carboxylic acid methyl ester (81912-43-8) + phenylglycine methyl ester (24461-61-8,26682-99-5,37760-98-8,6591-61-3) → 4(S)-(methoxycarbonyl)-1,3-thiazolidine-2-thione (80963-80-0) + (S)-Hexadecanoylamino-phenyl-acetic acid methyl ester (81912-46-1)

Guidance literature:

In dichloromethane; for 12h; Product distribution; Ambient temperature; Asymmetric amidation of racemic amines by optically active acylthiazolidines. E_.e. of products 0.2-64.4percent; solvent effect.;

DOI:10.1016/S0040-4039(00)86785-4

Reference yield: 87.1%

carbon disulfide (75-15-0,12122-00-8) + L-cysteine methyl ester hydrochloride (18598-63-5) → 4(S)-(methoxycarbonyl)-1,3-thiazolidine-2-thione (80963-80-0)

Guidance literature:

With triethylamine; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00387a016

upstream raw materials:

carbon disulfide

L-cysteine methyl ester hydrochloride

1,1'-Thiocarbonyldiimidazole

(R)-3-Hexadecanoyl-2-thioxo-thiazolidine-4-carboxylic acid methyl ester

Downstream raw materials:

N-<(phenoxythio)acetoxy>-4(R)-(methoxycarbonyl)-1,3-thiazolidine-2-thione

C₂₀H₂₄N₂O₆S₄

C₂₀H₂₆N₂O₆S₄

(R)-3-((2R,3R)-3-Hydroxy-2-methyl-3-phenyl-propionyl)-2-thioxo-thiazolidine-4-carboxylic acid methyl ester

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