Irisone A

Base Information

• Chemical Name: Irisone A
• CAS No.: 2652-16-6
• Molecular Formula: C₁₇H₁₂O₆
• Molecular Weight: 312.279
• DSSTox Substance ID: DTXSID40181100
• Nikkaji Number: J624.056I
• Wikidata: Q83051727
• Metabolomics Workbench ID: 22504
• ChEMBL ID: CHEMBL509631
• Mol file: 2652-16-6.mol

Synonyms:5-hydroxy-2'-methoxy-6,7-methylenedioxy-isoflavone;5-hydroxy-2'-methoxy-6,7-methylenedioxyisoflavone;irisone A

Chemical Property of Irisone A

Chemical Property:

• Vapor Pressure: 4.99E-12mmHg at 25°C
• Boiling Point: 534.2°Cat760mmHg
• Flash Point: 202.3°C
• Density: 1.466g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 312.06338810
• Heavy Atom Count: 23
• Complexity: 503

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=COC3=CC4=C(C(=C3C2=O)O)OCO4

Technology Process of Irisone A

There total 2 articles about Irisone A 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:

5,2'-dimethoxy-6,7-methylenedioxyisoflavone (3743-44-0) → irisone A (2652-16-6)

Guidance literature:

With aluminium trichloride; diethyl ether;

DOI:10.1021/ja01552a060

Reference yield:

2-hydroxy-6-methoxy-4,5-methylenedioxyphenyl-2-methoxybenzylketone (2810-49-3) → irisone A (2652-16-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium

2: aluminium chloride; diethyl ether

With aluminium trichloride; diethyl ether; sodium;

DOI:10.1021/ja01552a060

upstream raw materials:

5,2'-dimethoxy-6,7-methylenedioxyisoflavone

2-hydroxy-6-methoxy-4,5-methylenedioxyphenyl-2-methoxybenzylketone