4-Hydroxy-2-oxopentanoic acid

Base Information

• Chemical Name: 4-Hydroxy-2-oxopentanoic acid
• CAS No.: 3318-73-8
• Molecular Formula: C₅H₈O₄
• Molecular Weight: 132.116
• UNII: Q7M6F8F7B9
• Nikkaji Number: J609.509G
• Wikipedia: 4-Hydroxy-2-oxopentanoic_acid
• Wikidata: Q17119410
• Mol file: 3318-73-8.mol

Synonyms:4-hydroxy-2-oxovalerate

Chemical Property of 4-Hydroxy-2-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 0.00228mmHg at 25°C
• Boiling Point: 256.6°Cat760mmHg
• Flash Point: 123.3°C
• PSA: 74.60000
• Density: 1.311g/cm³
• LogP: -0.58900
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 132.04225873
• Heavy Atom Count: 9
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)C(=O)O)O

Technology Process of 4-Hydroxy-2-oxopentanoic acid

There total 9 articles about 4-Hydroxy-2-oxopentanoic 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:

2-hydroxymuconic acid (3685-55-0) → 4-hydroxy-2-oxopentanoic acid (41453-55-8,3318-73-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 4-oxalocrotonate tautomerase / various solvent(s) / 24 °C / pH 7.0

2: MgSO₄; 4-oxalocrotonate decarboxylase / various solvent(s) / 1 h / 24 °C / pH 8.0

3: MgSO₄; 2-oxopent-4-enoate hydratase / 0.5 h / 24 °C

With 2-oxopent-4-enoate hydratase; 4-oxalocrotonate decarboxylase; 4-oxalocrotonate tautomerase; magnesium sulfate; In various solvent(s);

DOI:10.1271/bbb.60264

Reference yield:

4-methyl-2-oxobutyrolactone (1944-45-2) → 4-hydroxy-2-oxopentanoic acid (41453-55-8,3318-73-8)

Guidance literature:

With water; sodium hydroxide; at 20 ℃;

DOI:10.1016/j.biocel.2013.05.028

Reference yield:

acetaldehyde (75-07-0,9002-91-9) + 2-oxo-propionic acid (127-17-3) → 4-hydroxy-2-oxopentanoic acid (41453-55-8,3318-73-8)

Guidance literature:

With 4-hydroxy-2-ketovalerate aldolase; Enzymatic reaction;

upstream raw materials:

2-oxo-propionic acid

2-oxopent-4-enoic acid

2-hydroxymuconic 6-semialdehyde

2-hydroxymuconic acid

Downstream raw materials:

1,3-butadiene-1-carboxylic acid

acetaldol

2-oxopent-4-enoic acid

2-hydroxypent-4-enoic acid

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