4,5-Dioxopentanoic acid

Base Information

• Chemical Name: 4,5-Dioxopentanoic acid
• CAS No.: 5976-90-9
• Molecular Formula: C5H6 O4
• Molecular Weight: 130.1
• DSSTox Substance ID: DTXSID50208493
• Nikkaji Number: J690.683D
• Wikidata: Q27102258
• Metabolomics Workbench ID: 42264
• Mol file: 5976-90-9.mol

Synonyms:4,5-dioxovaleric acid;gamma,delta-dioxovalerate

Chemical Property of 4,5-Dioxopentanoic acid

Chemical Property:

• Vapor Pressure: 0.00154mmHg at 25°C
• Boiling Point: 273.9°C at 760 mmHg
• Flash Point: 133.7°C
• PSA: 71.44000
• Density: 1.299g/cm³
• LogP: -0.38080
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 130.02660867
• Heavy Atom Count: 9
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

4,5-DioxovalericAcid(DOVA) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(=O)C=O
• Uses: DNA damage by 4,5-Dioxovaleric Acid in the presence of ferritin was studied. 4,?5-?Dioxovaleric acid (DOVA) was efficiently converted to ALA by the pyridoxamine 5''-?phosphate (PMP) form of the enzyme, thus it is a reaction intermediate.

Technology Process of 4,5-Dioxopentanoic acid

There total 1 articles about 4,5-Dioxopentanoic 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:

→ 4-formyl-4-oxobutanoic acid (5976-90-9) + dimethylglyoxal (431-03-8)

Guidance literature:

With water;

Reference yield:

4-formyl-4-oxobutanoic acid (5976-90-9) → α-ketoglutaric acid (328-50-7)

Guidance literature:

With bromine; Tageslicht;

Reference yield:

4-formyl-4-oxobutanoic acid (5976-90-9) → α-ketoglutaric acid (328-50-7)

Guidance literature:

Oxidation am Tageslicht;

Downstream raw materials:

α-ketoglutaric acid

(2R)-hydroxyglutaric acid

4,5-bis-(4-nitro-phenylhydrazono)-valeric acid

4,5-bis-(2,4-dinitro-phenylhydrazono)-valeric acid