Isoflavan

Base Information

• Chemical Name: Isoflavan
• CAS No.: 4737-26-2
• Molecular Formula: C₁₅H₁₄O
• Molecular Weight: 210.276
• DSSTox Substance ID: DTXSID001318654
• Nikkaji Number: J247.738F
• Wikidata: Q27104450
• ChEMBL ID: CHEMBL1957039
• Mol file: 4737-26-2.mol

Synonyms:isoflavan;4737-26-2;3-phenylchromane;3-phenyl-3,4-dihydro-2H-chromene;CHEBI:38740;3-Phenylchroman;Isofavan;SCHEMBL577507;CHEMBL1957039;DTXSID001318654;XI161823;2H-1-Benzopyran, 3,4-dihydro-3-phenyl-;Q27104450

Chemical Property of Isoflavan

Chemical Property:

• Vapor Pressure: 0.00054mmHg at 25°C
• Boiling Point: 322°C at 760 mmHg
• Flash Point: 144.6°C
• PSA: 0.00000
• Density: 1.098g/cm³
• LogP: 0.00000
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(COC2=CC=CC=C21)C3=CC=CC=C3

Technology Process of Isoflavan

There total 41 articles about Isoflavan 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: 87.0%

2-phenyl-3-(2-hydroxyphenyl)-1-propanol (100976-02-1) → Isoflavan (4737-26-2,20879-06-5,69651-88-3,143441-64-9)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; for 1.25h; Ambient temperature;

DOI:10.3987/com-98-8149

Reference yield: 85.0%

3-phenyl-2H-benzopyran (6054-00-8) → Isoflavan (4737-26-2,20879-06-5,69651-88-3,143441-64-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; ethyl acetate; Ambient temperature;

DOI:10.1016/0223-5234(87)90005-5

Reference yield: 68.0%

C16H16O2 (1029608-17-0) → Isoflavan (4737-26-2,20879-06-5,69651-88-3,143441-64-9)

Guidance literature:

With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetlet.2008.03.003

upstream raw materials:

3-phenyl-2H-benzopyran

2-morpholinoisoflav-3-ene

6-chloro-3-(4-chlorophenyl)-2H-benzopyran

2-phenyl-3-(2-hydroxyphenyl)-1-propanol

Refernces

• 1、 Basuli, Suchand,Chinnabattigalla, Sreenivasulu,Gupta, Kshitija,Gedu, Satyanarayana. "A concise route towards isoflavans". . p. 182 - 194. Retrieved 2020/10/19.
• 2、 Gharpure, Santosh J.,Sathiyanarayanan,Jonnalagadda, Prasad. "o-Quinone methide based approach to isoflavans: application to the total syntheses of equol, 3′-hydroxyequol and vestitol". . p. 2974 - 2978. Retrieved 2008/09/20.