Cleistanthin

Base Information

• Chemical Name: Cleistanthin
• CAS No.: 25047-48-7
• Molecular Formula: C₂₈H₂₈O₁₁
• Molecular Weight: 540.524
• ChEMBL ID: CHEMBL585411
• Wikidata: Q104993258
• Mol file: 25047-48-7.mol

Synonyms:cleistanthin;cleistanthin A

Chemical Property of Cleistanthin

Chemical Property:

• Vapor Pressure: 7.58E-26mmHg at 25°C
• Melting Point: 135.5°C
• Refractive Index: 1.5970 (estimate)
• Boiling Point: 783.4°Cat760mmHg
• Flash Point: 262.8°C
• PSA: 120.37000
• Density: 1.46g/cm³
• LogP: 3.04910
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 540.16316171
• Heavy Atom Count: 39
• Complexity: 857

Purity/Quality:

99%, ^*data from raw suppliers

CLEISTANTHIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1COC(C(C1OC)O)OC2=C3COC(=O)C3=C(C4=CC(=C(C=C42)OC)OC)C5=CC6=C(C=C5)OCO6

Technology Process of Cleistanthin

There total 2 articles about Cleistanthin 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: 97.0%

cleistanthin A acetate (23953-52-8) → cleistanthin A (25047-48-7)

Guidance literature:

With potassium carbonate; In methanol; at 25 ℃; for 1h;

Reference yield:

diethyl 1-(3',4'-methylenedioxyphenyl)-4-hydroxy-6,7-dimethoxy-naphthalene-2,3-dicarboxylate (175883-67-7) → cleistanthin A (25047-48-7)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 °C

2: tetrabutylammomium bromide; sodium hydroxide / dichloromethane / 2 h

3: potassium carbonate / methanol / 1 h / 25 °C

With lithium aluminium tetrahydride; tetrabutylammomium bromide; potassium carbonate; sodium hydroxide; In tetrahydrofuran; methanol; dichloromethane;

upstream raw materials:

cleistanthin A acetate

diethyl 1-(3',4'-methylenedioxyphenyl)-4-hydroxy-6,7-dimethoxy-naphthalene-2,3-dicarboxylate

Refernces

• 1、 Anjaneyulu, A. S. R.,Ramaiah, P. Atchuta,Row, L. Ramachandra,Venkateswarlu, R.,Pelter, A.,Ward, R. S.. "NEM LIGNANS FROM THE HEARTWOOD OF CLEISTANTHUS COLLINUS". . p. 3641 - 3652. Retrieved 2007/10/02.