Methyl 2-methyl-3-mercaptopropionate

Base Information

• Chemical Name: Methyl 2-methyl-3-mercaptopropionate
• CAS No.: 4131-76-4
• Molecular Formula: C5H10O2S
• Molecular Weight: 134.199
• Hs Code.: 2930909090
• European Community (EC) Number: 223-949-4
• UNII: ZV4QC18D1N
• DSSTox Substance ID: DTXSID10863325
• Nikkaji Number: J224.940E
• Wikidata: Q27295904
• ChEMBL ID: CHEMBL3100059
• Mol file: 4131-76-4.mol

Synonyms:methyl 2-methyl-3-sulfanylpropanoate;Methyl 2-methyl-3-mercaptopropionate;4131-76-4;EINECS 223-949-4;UNII-ZV4QC18D1N;ZV4QC18D1N;methyl 3-mercapto-2-methylpropionate;methyl 3-mercapto-2-methylpropanoate;methyl b-mercaptoisobutyrate;SCHEMBL6154678;CHEMBL3100059;DTXSID10863325;methyl 2-methyl-3-mercaptoproponate;methyl2-methyl-3-sulfanylpropanoate;AKOS010616561;METHYL-2-METHYL-3-MERCAPTOPROPIONATE;EN300-78805;3-Mercapto-2-methylpropionic acid methyl ester;Propanoic acid, 3-mercapto-2-methyl-, methyl ester;Q27295904;METHYL .ALPHA.-METHYL-.BETA.-MERCAPTOPROPIONATE;METHYL 2-METHYL-3-MERCAPTOPROPIONATE, (+/-)-;PROPIONIC ACID, 3-MERCAPTO-2-METHYL-, METHYL ESTER;122291-44-5

Chemical Property of Methyl 2-methyl-3-mercaptopropionate

Chemical Property:

• Vapor Pressure: 1.34mmHg at 25°C
• Boiling Point: 172.3°Cat760mmHg
• Flash Point: 58.3°C
• PSA: 65.10000
• Density: 1.04g/cm³
• LogP: 0.72530
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 134.04015073
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-Methyl-3-sulfanylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CS)C(=O)OC

Technology Process of Methyl 2-methyl-3-mercaptopropionate

There total 11 articles about Methyl 2-methyl-3-mercaptopropionate 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: 74.0%

2-(2-Methoxycarbonyl-propylsulfanyl)-piperidine-1-carboxylic acid methyl ester (138682-17-4) → methyl 3-mercapto-2-methyl-propionate (4131-76-4)

Guidance literature:

With thiobenzoic acid; titanium tetrachloride; In dichloromethane; at -78 ℃; for 0.333333h;

DOI:10.1016/S0040-4039(00)93586-X

Reference yield: 71.0%

methyl L-(+)-3-acetylthio-2-methylpropionate (97101-46-7,92065-73-1) → methyl 3-mercapto-2-methyl-propionate (4131-76-4)

Guidance literature:

With sulfuric acid; In methanol; diethyl ether;

Reference yield: 41.6%

methanol (67-56-1) + 3-(acetylthio)-2-methylpropanoic acid (33325-40-5) → methyl 3-mercapto-2-methyl-propionate (4131-76-4) + methyl L-(+)-3-acetylthio-2-methylpropionate (97101-46-7,92065-73-1)

Guidance literature:

cation-exchange resin PK-216 (H type); at 65 ℃; for 1h;

upstream raw materials:

methacrylic acid methyl ester

α-Methyl-β-propiothiolactone

sodium methylate

methanol

Downstream raw materials:

C₈₈H₁₄₄O₄₈S₈