Methyl 3-mercaptopropionate

Base Information

• Chemical Name: Methyl 3-mercaptopropionate
• CAS No.: 2935-90-2
• Molecular Formula: C4H8O2S
• Molecular Weight: 120.172
• Hs Code.: 29309090
• European Community (EC) Number: 220-912-4
• NSC Number: 137814
• UNII: V920F0BCRZ
• DSSTox Substance ID: DTXSID6027509
• Nikkaji Number: J34.910K
• Wikidata: Q27291681
• ChEMBL ID: CHEMBL3188420
• Mol file: 2935-90-2.mol

Synonyms:methyl 3-mercaptopropionate

Chemical Property of Methyl 3-mercaptopropionate

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 1.97mmHg at 25°C
• Melting Point: -60oC
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 164.4 °C at 760 mmHg
• PKA: 9.17±0.25(Predicted)
• Flash Point: 60 °C
• PSA: 65.10000
• Density: 1.072 g/cm³
• LogP: 0.47930
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.02450067
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-Mercaptopropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: T,Xi
• Statements: 22-23-36/37/38
• Safety Statements: 45-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: COC(=O)CCS
• Uses: Methyl 3-Mercaptopropionate is used in the synthesis of thioisoindolinones. Methyl 3-mercaptopropionate is a click chemistry reagent used in the modification of oxazolines using thiol-ene click modification. It also has implications for self-assembled monolayers (SAMs). It is used in the colorimetric detection of mercury(II) in a high-salinity solution using gold nanoparticles. The Progress in Development of Dental Restorative Materials

Technology Process of Methyl 3-mercaptopropionate

There total 23 articles about 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: 97.0%

methyl β-(acetylthio)propionate (6291-62-9) → Methyl 3-mercaptopropionate (2935-90-2)

Guidance literature:

With sodium hydroxide; thioesterase; In phosphate buffer; at 37 ℃; for 0.5h; pH=7.00;

DOI:10.1021/ol0069195

Reference yield: 93.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → Methyl 3-mercaptopropionate (2935-90-2)

Guidance literature:

With hydrogen sulfide; In ethanol; at 80 ℃; for 1h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 85.0%

2-(2-Methoxycarbonyl-ethylsulfanyl)-piperidine-1-carboxylic acid methyl ester (138682-14-1) → Methyl 3-mercaptopropionate (2935-90-2)

Guidance literature:

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

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

upstream raw materials:

3-mercaptopropionic acid

methanol

sodium methylate

3-Phenyl-4-oxo-2-thioxo-tetrahydro-1,3-thiazin

Downstream raw materials:

3-(2-Hydroxy-2-phenyl-ethylsulfanyl)-propionic acid methyl ester

4,6-dithia-nonanedioic acid

cis-3-(2'-Carbomethoxyethylthio)acrylsaeure

C₁₂H₁₅NO₅S₂