2-Hydroxymuconic semialdehyde

Base Information

• Chemical Name: 2-Hydroxymuconic semialdehyde
• CAS No.: 77934-57-7
• Molecular Formula: C6H6O4
• UNII: H89BYZ9XEQ
• Wikipedia: 2-Hydroxymuconate_semialdehyde
• Wikidata: Q16977980
• Metabolomics Workbench ID: 64920
• Mol file: 77934-57-7.mol

Synonyms:2-hydroxy-6-oxohexa-2,4-dienoate semialdehyde;hydroxymuconic semialdehyde

Chemical Property of 2-Hydroxymuconic semialdehyde

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 142.02660867
• Heavy Atom Count: 10
• Complexity: 190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC(=O)C(=O)O)C=CO
• Isomeric SMILES: C(=C/C(=O)C(=O)O)\C=C\O

Technology Process of 2-Hydroxymuconic semialdehyde

There total 2 articles about 2-Hydroxymuconic semialdehyde 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:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → secopyrocatechol (3270-98-2,77934-57-7)

Guidance literature:

In water; at 4 ℃; for 3.5h; enzymatic synthesis (enzyme from red skin of Amanita muscaria L_.);

DOI:10.1002/hlca.19910740115

Reference yield:

2H-pyran-2-one-6-carboxylic acid (672-67-3) → 1-Hydroxy-4-formyl-1-carboxy-3cis.1trans-butadien (3270-98-2,77934-57-7)

Guidance literature:

Multistep reaction; (i) LiAlH₄, (ii) aq. H₂SO₄;

upstream raw materials:

2H-pyran-2-one-6-carboxylic acid

benzene-1,2-diol

Refernces