3-Acetylmercapto-butyric acid

Base Information

• Chemical Name: 3-Acetylmercapto-butyric acid
• CAS No.: 63684-46-8
• Molecular Formula: C6H10O3S
• Molecular Weight: 162.21
• European Community (EC) Number: 636-319-2
• NSC Number: 86114
• Nikkaji Number: J2.828.935I
• Mol file: 63684-46-8.mol

Synonyms:3-acetylmercapto-butyric acid;63684-46-8;NSC86114;3-(acetylthio)butanoic acid;SCHEMBL5132296;BSPJWLYNHHCMDG-UHFFFAOYSA-N;CCG-40538;NSC-86114;AKOS024332325

Chemical Property of 3-Acetylmercapto-butyric acid

Chemical Property:

• Vapor Pressure: 0.0013mmHg at 25°C
• Boiling Point: 276.5°Cat760mmHg
• Flash Point: 121°C
• Density: 1.213g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 162.03506535
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC(=O)O)SC(=O)C

Technology Process of 3-Acetylmercapto-butyric acid

There total 1 articles about 3-Acetylmercapto-butyric acid 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:

ethyl 3-(acetylthio)butanoate (92065-74-2) → 3-mercaptobutyric acid (26473-49-4) + 3(R/S)-acetylthiobutanoic acid (63684-46-8)

Guidance literature:

With Candida rugosa lipase; at 40 ℃; for 3h; pH=8; aq. buffer; Enzymatic reaction;

DOI:10.1016/j.tetlet.2010.02.081

Reference yield:

3(R/S)-acetylthiobutanoic acid (63684-46-8) → 3-mercaptobutyric acid (26473-49-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1111/j.1553-2712.2001.tb00189.x

upstream raw materials:

ethyl 3-(acetylthio)butanoate

Downstream raw materials:

3-mercaptobutyric acid

Refernces