3-Mercaptopyruvic acid

Base Information

• Chemical Name: 3-Mercaptopyruvic acid
• CAS No.: 2464-23-5
• Molecular Formula: C3H4 O3 S
• Molecular Weight: 120.129
• Hs Code.: 2930909090
• UNII: 5Z1F5OW4YB
• DSSTox Substance ID: DTXSID20862960
• Nikkaji Number: J72.997C
• Wikipedia: 3-Mercaptopyruvic_acid
• Wikidata: Q4634163
• Metabolomics Workbench ID: 37755
• Mol file: 2464-23-5.mol

Synonyms:3-mercaptopyruvate;3-mercaptopyruvate monosodium salt;3-mercaptopyruvic acid;beta-mercaptopyruvate;beta-thiopyruvic acid

Chemical Property of 3-Mercaptopyruvic acid

Chemical Property:

• Boiling Point: 227.7°Cat760mmHg
• PKA: 2.15±0.54(Predicted)
• Flash Point: 91.5°C
• PSA: 96.00000
• Density: 1.432g/cm³
• LogP: -1.76480
• XLogP3: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 119.98811516
• Heavy Atom Count: 7
• Complexity: 98.4

Purity/Quality:

97% ^*data from raw suppliers

2-OXO-3-SULFANYLPROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)C(=O)O)S

Technology Process of 3-Mercaptopyruvic acid

There total 7 articles about 3-Mercaptopyruvic 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: 69.0%

bromopyruvic acid (1113-59-3) + tiolacetic acid (507-09-5) → 3-mercapto-2-oxo-propionic acid (2464-23-5)

Guidance literature:

bromopyruvic acid; tiolacetic acid; With triethylamine; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;

With hydrogenchloride; In water; for 12h; Inert atmosphere; Reflux;

DOI:10.1021/acs.biochem.7b00980

Reference yield:

α-ketoglutaric acid (328-50-7) + L-Cysteine (52-90-4) → L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + 3-mercapto-2-oxo-propionic acid (2464-23-5)

Guidance literature:

With Erwinia carotovora subsp. carotovora aromatic aminotransferase PAT₁; Enzymatic reaction;

DOI:10.1134/S0006297912010129

Reference yield:

L-Cysteine (52-90-4) → 3-mercapto-2-oxo-propionic acid (2464-23-5)

Guidance literature:

With aspartate aminotransferase; α-ketoglutarate; In aq. buffer; at 30 ℃; for 0.5h; pH=7.4; Enzymatic reaction;

DOI:10.1016/j.enzmictec.2017.08.005

upstream raw materials:

D-cysteine

α-ketoglutaric acid

L-Cysteine

l-cysteine hydrochloride

Downstream raw materials:

2-(2,4-dinitro-phenylhydrazono)-3-mercapto-propionic acid

3-mercaptolactate