2-Mercaptobutyric acid

Base Information

• Chemical Name: 2-Mercaptobutyric acid
• CAS No.: 26473-48-3
• Molecular Formula: C4H8O2S
• Molecular Weight: 120.172
• Hs Code.: 2930909090
• European Community (EC) Number: 819-821-8
• DSSTox Substance ID: DTXSID20468502
• Nikkaji Number: J135.421C
• Mol file: 26473-48-3.mol

Synonyms:2-MERCAPTOBUTYRIC ACID;26473-48-3;2-sulfanylbutanoic Acid;Butanoic acid, 2-mercapto-;mercaptobutanoic acid;2-Mercaptobutyricacid;SCHEMBL154271;3-methyl-sulfanyl-propionic acid;AMY2446;DTXSID20468502;CFPHMAVQAJGVPV-UHFFFAOYSA-N;AKOS010616564;FT-0697466;EN300-147643

Chemical Property of 2-Mercaptobutyric acid

Chemical Property:

• Vapor Pressure: 0.034mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 224.4 °C at 760 mmHg
• PKA: pK1:3.53(0) (25°C)
• Flash Point: 89.5 °C
• PSA: 37.30000
• Density: 1.159 g/cm³
• LogP: 1.24450
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 120.02450067
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

99.3% ^*data from raw suppliers

2-sulfanylbutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)S

Technology Process of 2-Mercaptobutyric acid

There total 10 articles about 2-Mercaptobutyric 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:

C11H12O3S (1217740-06-1) → 2-mercapto-butyric acid (26473-48-3)

Guidance literature:

C₁₁H₁₂O₃S; With ammonia; at 20 ℃;

With hydrogenchloride; In water;

DOI:10.1016/j.bmc.2013.04.038

Reference yield:

2-Bromobutyric acid (80-58-0) → 2-mercapto-butyric acid (26473-48-3)

Guidance literature:

With ethanol; potassium hydrosulfide;

Reference yield:

2-acetylsulfanyl-butyric acid → 2-mercapto-butyric acid (26473-48-3)

Guidance literature:

With ammonia; In methanol; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201305644

upstream raw materials:

2-Bromobutyric acid

5-Aethyl-pseudothiohydantoin

2-ethoxythiocarbonylmercapto-butyric acid

(+/-)-2,5-diethyl-3,4-dithia-adipic acid

Downstream raw materials:

1-{4-[N-methyl-N-ethylmercaptoacetylamino]benzoyl}-4-[2-(4-chlorophenyl)ethyl]piperazine hydrochloride

5-ethyl-3-phenyl-2-thioxothiazolidin-4-one