3-Methylmercaptopropionic Acid

Base Information

• Chemical Name: 3-Methylmercaptopropionic Acid
• CAS No.: 3931-64-4
• Molecular Formula: C4H8OS
• Molecular Weight: 104.173
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00881270
• Nikkaji Number: J782.427K
• Mol file: 3931-64-4.mol

Synonyms:thiobutyric acid;3-Methylmercaptopropionic Acid;butyryl thiamine;SCHEMBL37527;3931-64-4;DTXSID00881270;DGAODIKUWGRDBO-UHFFFAOYSA-N;?3-METHYLTHIOPROPIONIC ACID;AKOS030227952

Chemical Property of 3-Methylmercaptopropionic Acid

Chemical Property:

• PSA: 55.87000
• LogP: 1.24290
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 104.02958605
• Heavy Atom Count: 6
• Complexity: 51.5

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)S

Technology Process of 3-Methylmercaptopropionic Acid

There total 1 articles about 3-Methylmercaptopropionic 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:

ethylthioacetic acid methyl ester (2432-51-1) → butyroin (496-77-5) + octane-4,5-dione (5455-24-3) + thiolobutyric acid (3931-64-4) + butyric acid (107-92-6)

Guidance literature:

With lithium perchlorate; In N,N-dimethyl-formamide; Title compound not separated from byproducts; Electrochemical reaction;

DOI:10.1016/j.tet.2004.12.050

Reference yield: 97.0%

thiolobutyric acid (3931-64-4) + aniline (62-53-3) → N-phenylbutyramide (1129-50-6)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; triethylamine; In ethyl acetate; at 20 ℃; for 24h; Electrochemical reaction;

DOI:10.1002/cssc.201900814

Reference yield: 56.5%

chloromethyl cinnamate + thiolobutyric acid (3931-64-4) → bis(thiobutyryl)methane + cinnamoyloxymethylthiobutyrate

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 20 ℃;

upstream raw materials:

ethylthioacetic acid methyl ester

Downstream raw materials:

propyl-2,4,6,8,9,10-hexathia-adamantane

tripropyl-2,4,6,8,9,10-hexathia-adamantane

dipropyl-2,4,6,8,9,10-hexathia-adamantane

1,1-bis-butyrylmercapto-butane