Methyl 3-(2-hydroxyethylsulfanyl)propanoate

Base Information

• Chemical Name: Methyl 3-(2-hydroxyethylsulfanyl)propanoate
• CAS No.: 5331-30-6
• Molecular Formula: C₆H₁₂O₃S
• Molecular Weight: 164.225
• NSC Number: 2272
• UNII: U7UKR2Z9EU
• DSSTox Substance ID: DTXSID20277414
• Nikkaji Number: J3.172.139C
• Wikidata: Q82008553
• Mol file: 5331-30-6.mol

Synonyms:5331-30-6;methyl 3-(2-hydroxyethylsulfanyl)propanoate;NSC-2272;methyl 3-((2-hydroxyethyl)thio)propanoate;Methyl 3-[(2-hydroxyethyl)thio]propanoate;NSC2272;Methyl 3-(2-hydroxyethylthio)-propionate;U7UKR2Z9EU;SCHEMBL10606947;DTXSID20277414;NSC 2272;AKOS009075734;Methyl 3-[(2-hydroxyethyl)thio]propionate;3-(2-Hydroxyethylthio)propionic acid methyl ester;3-[(2-hydroxyethyl)thio]propionic acid methyl ester;3-(2-HYDROXYETHYLTHIO)PROPIONIC ACID, METHYL ESTER;Propanoic acid, 3-[(2-hydroxyethyl)thio]-, methyl ester;Propionic acid, 3-[(2-hydroxyethyl)thio]-, methyl ester

Chemical Property of Methyl 3-(2-hydroxyethylsulfanyl)propanoate

Chemical Property:

• Vapor Pressure: 0.000593mmHg at 25°C
• Boiling Point: 276.6°Cat760mmHg
• Flash Point: 121.1°C
• Density: 1.152g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 164.05071541
• Heavy Atom Count: 10
• Complexity: 95

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCSCCO

Technology Process of Methyl 3-(2-hydroxyethylsulfanyl)propanoate

There total 5 articles about Methyl 3-(2-hydroxyethylsulfanyl)propanoate 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: 94.0%

→ methyl 3-((2-hydroxyethyl)thio)propanoate (5331-30-6)

Guidance literature:

With 2-(2-nitrophenyl)propyloxycarbonyl hexylamine; In neat (no solvent); for 1h; Irradiation;

Reference yield: 88.0%

Methyl 3-mercaptopropionate (2935-90-2) + 2-bromoethanol (540-51-2) → methyl 3-((2-hydroxyethyl)thio)propanoate (5331-30-6)

Guidance literature:

With sodium methylate; In methanol; for 4h; Heating;

DOI:10.1016/0008-6215(96)00089-4

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + 2-hydroxyethanethiol (60-24-2) → methyl 3-((2-hydroxyethyl)thio)propanoate (5331-30-6)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide; unter Kuehlung;

DOI:10.1021/ja01202a024

upstream raw materials:

N-benzyl-trimethylammonium hydroxide

acrylic acid methyl ester

2-hydroxyethanethiol

Methyl 3-mercaptopropionate

Downstream raw materials:

1,6-dihydroxy-3-thiahexane