Claussequinone

Base Information

• Chemical Name: Claussequinone
• CAS No.: 35878-39-8
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.284
• Wikidata: Q104403005
• Metabolomics Workbench ID: 22936
• Mol file: 35878-39-8.mol

Synonyms:7-hydroxy-4'-methoxyisoflavanquinone;claussequinone

Chemical Property of Claussequinone

Chemical Property:

• Vapor Pressure: 3.1E-10mmHg at 25°C
• Boiling Point: 490.2°Cat760mmHg
• Flash Point: 185.3°C
• PSA: 72.83000
• Density: 1.38g/cm³
• LogP: 1.55180
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 519

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=O)C(=CC1=O)C2CC3=C(C=C(C=C3)O)OC2
• Use Description: Claussequinone, a natural compound found in certain plants, has a range of applications in different fields. In the field of organic chemistry, it is used as a starting material for the synthesis of various biologically active molecules due to its unique chemical structure. In agriculture, claussequinone is utilized as a natural herbicide and allelopathic agent, helping to inhibit the growth of competing plant species and weeds. This property can be beneficial in promoting the growth of desired crops. Additionally, claussequinone has been studied for its potential pharmaceutical applications, particularly in the development of new drugs and medicines, as it exhibits anti-inflammatory and antioxidant properties. Overall, claussequinone plays a significant role in organic synthesis, agriculture, and potential therapeutic research.

Technology Process of Claussequinone

There total 1 articles about Claussequinone 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:

→ claussequinone (52305-08-5,35878-39-8)

Guidance literature:

aus 63;

Reference yield:

claussequinone (52305-08-5,35878-39-8) + acetic anhydride (108-24-7) → Acetic acid 3-(4-methoxy-3,6-dioxo-cyclohexa-1,4-dienyl)-chroman-7-yl ester (58210-36-9)

Guidance literature:

With pyridine; Ambient temperature;

Downstream raw materials:

Acetic acid 3-(4-methoxy-3,6-dioxo-cyclohexa-1,4-dienyl)-chroman-7-yl ester