2-Hydroxybenzalpyruvate

Base Information

• Chemical Name: 2-Hydroxybenzalpyruvate
• CAS No.: 145761-42-8
• Molecular Formula: C10H8O4
• Molecular Weight: 192.171
• UNII: 8WGN3TR2PL
• Metabolomics Workbench ID: 60573
• Nikkaji Number: J1.321.886B
• Wikidata: Q27097828
• Mol file: 145761-42-8.mol

Synonyms:2-hydroxybenzalpyruvate;4-(2-hydroxyphenyl)-2-oxo-3-butenoic acid;ortho-hydroxybenzalpyruvate

Chemical Property of 2-Hydroxybenzalpyruvate

Chemical Property:

• 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:

99.90% ^*data from raw suppliers

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
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)C(=O)O)O

Technology Process of 2-Hydroxybenzalpyruvate

There total 7 articles about 2-Hydroxybenzalpyruvate 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:

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;

Reference yield:

salicylaldehyde (90-02-8) + 2-oxo-propionic acid (127-17-3) → benz[b]oxepin-2,3-dione + 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

Downstream raw materials:

salicylaldehyde

2-oxo-propionic acid