2-Fluoro-cis,cis-muconate

Base Information

• Chemical Name: 2-Fluoro-cis,cis-muconate
• CAS No.: 94728-76-4
• Molecular Formula: C6H5FO4
• Molecular Weight: 160.102
• European Community (EC) Number: 894-171-6
• Wikidata: Q27149560
• Mol file: 94728-76-4.mol

Synonyms:2-Fluoro-cis,cis-muconate;(2E,4Z)-2-fluorohexa-2,4-dienedioic acid;SCHEMBL26128774;CHEBI:80517;94728-76-4;(2Z,4E)-5-fluorohexa-2,4-dienedioic acid;EN300-27100435;Q27149560

Chemical Property of 2-Fluoro-cis,cis-muconate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 160.01718680
• Heavy Atom Count: 11
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Fluoro-cis,cis-muconate

There total 1 articles about 2-Fluoro-cis,cis-muconate 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: 52.0%

3-fluorocatechol (363-52-0) → cis,cis-2-Fluoro-2,4-hexadienedioic acid (94728-76-4,10318-01-1)

Guidance literature:

With peracetic acid; ferric ammonium citrate; In acetic acid; for 24h; Ambient temperature;

DOI:10.1021/jo00093a036

upstream raw materials:

3-fluorocatechol