Methyl 2-mercaptopropionate

Base Information

• Chemical Name: Methyl 2-mercaptopropionate
• CAS No.: 53907-46-3
• Molecular Formula: C4H8 O2 S
• Molecular Weight: 120.172
• Hs Code.: 2930909090
• European Community (EC) Number: 258-856-8
• UNII: 25IZE8ZJA2
• DSSTox Substance ID: DTXSID10866371
• Nikkaji Number: J45.088J
• Wikidata: Q27253967
• Mol file: 53907-46-3.mol

Synonyms:Methyl 2-mercaptopropionate;53907-46-3;Methyl 2-sulfanylpropanoate;2-Mercaptopropionic acid methyl ester;Propanoic acid, 2-mercapto-, methyl ester;methyl 2-mercaptopropanoate;UNII-25IZE8ZJA2;25IZE8ZJA2;EINECS 258-856-8;.alpha.-Mercaptopropionic acid methyl ester;2-Mercaptopropanoic acid methyl ester;methyl2-mercaptopropanoate;Methyl 2-sulfanylpropanoate #;SCHEMBL932508;DTXSID10866371;Methyl .alpha.-mercaptopropionate;mercapto-propionic acid methyl ester;AKOS009140580;EN300-28624;PROPIONIC ACID, 2-MERCAPTO-, METHYL ESTER;Q27253967;105368-24-9

Chemical Property of Methyl 2-mercaptopropionate

Chemical Property:

• Vapor Pressure: 4.06mmHg at 25°C
• Boiling Point: 69-70℃ (45 Torr)
• PKA: 8.48±0.10(Predicted)
• Flash Point: 40°C
• PSA: 65.10000
• Density: 1.068g/cm³
• LogP: 0.47770
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 120.02450067
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Mercaptopropionic Acid Methyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)S
• Uses: 2-Mercaptopropionic Acid Methyl Ester was used in the synthesis of potential antibacterial and antifungal agents.

Technology Process of Methyl 2-mercaptopropionate

There total 5 articles about Methyl 2-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: 83.3%

methanol (67-56-1) + 2-mercaptopropanoic acid (79-42-5) → methyl 2-mercaptopropionate (53907-46-3)

Guidance literature:

With hydrogenchloride; at 25 ℃; for 15h;

Reference yield:

2-acetylsulfanylpropionic acid methyl ester (1263098-83-4) → bis(α-carbomethoxyethyl)disulfide (41145-55-5) + methyl 2-mercaptopropionate (53907-46-3)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; for 4h;

DOI:10.1021/ma102829s

Reference yield:

Tetraethylene glycol (112-60-7) + ethylene glycol (107-21-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 2-mercaptopropionate (53907-46-3)

Guidance literature:

In 6-hydroxy-2-naphthyldisulphide;

upstream raw materials:

p-Chlorothiophenol

Bromo-(4-oxo-3,4-dihydro-quinazolin-2-yl)-acetonitrile

Tetraethylene glycol

ethylene glycol

Downstream raw materials:

2-mercaptopropanol

(+/-)-cis-3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-one

(+/-)-trans-3,5-dimethyl-2-(3-pyridyl)thiazolidin-4-one

(+/-)-trans-2-(4-chlorophenyl)-3,5-dimethylthiazolidin-4-one