carboxymuconolactone

Base Information

• Chemical Name: carboxymuconolactone
• CAS No.: 13249-46-2
• Molecular Formula: C₇H₆O₆
• Molecular Weight: 186.121
• Nikkaji Number: J1.705.604B
• Wikidata: Q27102167
• Mol file: 13249-46-2.mol

Synonyms:3-Butene-1,2,4-tricarboxylicacid, 2-hydroxy-, g-lactone (7CI); g-Carboxymuconolactone

Chemical Property of carboxymuconolactone

Chemical Property:

• Vapor Pressure: 1.8E-09mmHg at 25°C
• Boiling Point: 453.1°Cat760mmHg
• PKA: 1.57±0.20(Predicted)
• Flash Point: 194.8°C
• PSA: 100.90000
• Density: 1.528g/cm³
• LogP: -0.60250
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 186.01643791
• Heavy Atom Count: 13
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(OC1=O)(CC(=O)O)C(=O)O

Technology Process of carboxymuconolactone

There total 2 articles about carboxymuconolactone 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:

(1Z,3Z)-2-carboxy-muconic acid (1116-26-3) → γ-carboxymuconolactone (13249-46-2)

Guidance literature:

With 3-carboxy-cis,cis-muconatecycloisomerase; In aq. buffer; at 30 ℃; for 0.0833333h; pH=7.5; Enzymatic reaction;

DOI:10.1080/09168451.2014.993915

Reference yield:

→ γ-carboxymuconolactone (13249-46-2)

Guidance literature:

β-Carboxy-cis,cis-muconat(II) , enzymatisch;

Reference yield:

γ-carboxymuconolactone (13249-46-2) → 3-oxoadipic acid (689-31-6)

Guidance literature:

With γ-carboxy-muconolactone decarboxylase; In aq. buffer; at 30 ℃; for 0.0833333h; pH=7.5; Enzymatic reaction;

DOI:10.1080/09168451.2014.993915

upstream raw materials:

(1Z,3Z)-2-carboxy-muconic acid

Downstream raw materials:

3-oxoadipic acid

Refernces