Isovestitol

Base Information

• Chemical Name: Isovestitol
• CAS No.: 56581-76-1
• Molecular Formula: C16H12 O5
• Molecular Weight: 284.26
• UNII: H281Z02913
• DSSTox Substance ID: DTXSID20343729
• Nikkaji Number: J146.857J
• Wikidata: Q27279540
• Metabolomics Workbench ID: 22913
• Mol file: 56581-76-1.mol

Synonyms:Isovestitol;Isovestitol, (+/-)-;7,4'-Dihydroxy-2'-methoxyisoflavan;(3RS)-7,4'-Dihydroxy-2'-methoxyisoflavan;H281Z02913;2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxy-2-methoxyphenyl)-;UNII-H281Z02913;63631-42-5;75172-32-6;Isobestitol;DTXSID20343729;CHEBI:174582;3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol;LMPK12080028;3-(4-Hydroxy-2-methoxyphenyl)-7-chromanol #;Q27279540

Chemical Property of Isovestitol

Chemical Property:

• Vapor Pressure: 3.9E-13mmHg at 25°C
• Boiling Point: 559.8°Cat760mmHg
• Flash Point: 215°C
• PSA: 79.90000
• Density: 1.42g/cm³
• LogP: 2.87980
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 272.10485899
• Heavy Atom Count: 20
• Complexity: 322

Purity/Quality:

99% ^*data from raw suppliers

4',7-DIHYDROXY-2'-METHOXYISOFLAVONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2

Technology Process of Isovestitol

There total 2 articles about Isovestitol 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: 81.0%

7-benzyloxy-3-(4-benzyloxy-2-methoxy-phenyl)-chromen-4-one (62027-19-4) → 4',7-Dihydroxy-2'-methoxyisoflavon (56581-76-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In diethyl ether;

Reference yield:

→ 4',7-Dihydroxy-2'-methoxyisoflavon (56581-76-1)

Guidance literature:

7,4'-Dibenzyloxy-2'-methoxyisoflavon, CH3COOH/HCl;

DOI:10.1016/0031-9422(77)83020-3

Reference yield: 51.0%

4',7-Dihydroxy-2'-methoxyisoflavon (56581-76-1) + ethyl chloromethyl ether (3188-13-4) → 7-Ethoxymethoxy-4'-hydroxy-2'-methoxyisoflavon (104739-67-5)

Guidance literature:

With potassium carbonate; In acetone; for 2h; Heating;

upstream raw materials:

7-benzyloxy-3-(4-benzyloxy-2-methoxy-phenyl)-chromen-4-one

Downstream raw materials:

7-Ethoxymethoxy-4'-hydroxy-2'-methoxyisoflavon

haginin B

rac-5'-O-Methylphaseollinisoflavan

(+/-)-3,4-Dihydro-7'-methoxy-2',2'-dimethyl-3,6'-bi(2H-1-benzopyran)-7-ol

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