4-oxohepta-2,5-dienedioic Acid

Base Information

• Chemical Name: 4-oxohepta-2,5-dienedioic Acid
• CAS No.: 34911-62-1
• Molecular Formula: C₇H₆O₅
• Molecular Weight: 170.122
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID10371839
• Wikidata: Q82159310
• Mol file: 34911-62-1.mol

Synonyms:2,5-Heptadienedioicacid, 4-oxo-;4-oxohepta-2,5-dienedioic Acid;34911-62-1;DTXSID10371839;FT-0619347

Chemical Property of 4-oxohepta-2,5-dienedioic Acid

Chemical Property:

• Vapor Pressure: 9.24E-08mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.554
• Boiling Point: 406.9°Cat760mmHg
• PKA: 2.79±0.10(Predicted)
• Flash Point: 214.1°C
• PSA: 91.67000
• Density: 1.445g/cm³
• LogP: -0.16290
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 170.02152329
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

4-OXOHEPTA-2,5-DIENEDIOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-oxohepta-2,5-dienedioic Acid

There total 5 articles about 4-oxohepta-2,5-dienedioic 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:

4-oxo-hepta-2,5-dienedioic acid diethyl ester (59234-62-7) → 4-oxo-hepta-2,5-dienedioic acid (34911-62-1)

Guidance literature:

With hydrogenchloride; acetic acid; Verseifen;

Reference yield:

→ 4-oxo-hepta-2,5-dienedioic acid (34911-62-1)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 4-oxo-hepta-2,5-dienedioic acid (34911-62-1)

Guidance literature:

With sulfuric acid; Hydrolysis;

upstream raw materials:

4-oxo-hepta-2,5-dienedioic acid diethyl ester

hydrogenchloride

water

dihydrogen peroxide