4-(2-Hydroxyphenyl)-2-oxobut-3-enoic acid

Base Information

• Chemical Name: 4-(2-Hydroxyphenyl)-2-oxobut-3-enoic acid
• CAS No.: 90293-62-2
• Molecular Formula: C₁₀H₈O₄
• Molecular Weight: 192.171
• DSSTox Substance ID: DTXSID601269499
• Mol file: 90293-62-2.mol

Synonyms:4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid;145761-42-8;2-hydroxybenzalpyruvic acid;DTXSID601269499

Chemical Property of 4-(2-Hydroxyphenyl)-2-oxobut-3-enoic acid

Chemical Property:

• Vapor Pressure: 1.84E-06mmHg at 25°C
• Boiling Point: 380.3°Cat760mmHg
• Flash Point: 198°C
• PSA: 74.60000
• Density: 1.401g/cm³
• LogP: 1.05910
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.04225873
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)C(=O)O)O

Technology Process of 4-(2-Hydroxyphenyl)-2-oxobut-3-enoic acid

There total 8 articles about 4-(2-Hydroxyphenyl)-2-oxobut-3-enoic 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:

→ cis-o-Hydroxybenzalpyruvat (31966-72-0,90293-62-2)

Guidance literature:

1,2-Dihydroxy-naphthalin, bakterieller Abbau an Soil Pseudomonads;

Reference yield:

sodium pyruvate (113-24-6) + salicylaldehyde (90-02-8) → 4-(2-hydroxy-phenyl)-2-oxo-but-3-enoic acid (145761-42-8,90293-62-2)

Guidance literature:

With Rhodococcus opacus strain CIR₂ trans-o-hydroxybenzylidenepyruvate hydratase-aldolase; at 60 ℃; for 1h; Enzymatic reaction;

DOI:10.1080/09168451.2019.1625262

Reference yield:

salicylaldehyde (90-02-8) + 2-oxo-propionic acid (127-17-3) → 4-(2-hydroxy-phenyl)-2-oxo-but-3-enoic acid (145761-42-8,90293-62-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

salicylaldehyde

2-oxo-propionic acid

hydrogenchloride

sodium pyruvate