2-Chloro-4-oxo-2-hexenedioic acid

Base Information

• Chemical Name: 2-Chloro-4-oxo-2-hexenedioic acid
• CAS No.: 24759-04-4
• Molecular Formula: C₆H₅ClO₅
• Molecular Weight: 192.556
• DSSTox Substance ID: DTXSID801271842
• Nikkaji Number: J3.100.509D
• Mol file: 24759-04-4.mol

Synonyms:2-chloro-4-oxo-(Z)-2-hexenedioic acid;2-chloromaleylacetate;2-chloromaleylacetate, (E)-isomer

Chemical Property of 2-Chloro-4-oxo-2-hexenedioic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 423.9°Cat760mmHg
• Flash Point: 210.1°C
• Density: 1.621g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 191.9825509
• Heavy Atom Count: 12
• Complexity: 255

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-4-oxo-2-hexenedioic acid

There total 1 articles about 2-Chloro-4-oxo-2-hexenedioic 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:

2,6-dichloro-1,4-benzenediol (20103-10-0) → α-Chlormaleylacetat (22752-72-3,24759-04-4,22752-94-9)

Guidance literature:

With 2,6-dichlorohydroquinone 1,2-dioxygenase; pH=7; aq. phosphate buffer; Air; Enzymatic reaction;

DOI:10.1021/bi200855m

upstream raw materials:

2,6-dichloro-1,4-benzenediol

Refernces