3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol

Base Information

• Chemical Name: 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
• CAS No.: 494-48-4
• Molecular Formula: C₁₅H₁₄O₃
• Molecular Weight: 242.274
• DSSTox Substance ID: DTXSID001218074
• Nikkaji Number: J3.344.672A
• Wikidata: Q105367831
• ChEMBL ID: CHEMBL508033
• Mol file: 494-48-4.mol

Synonyms:CHEMBL508033;3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol;4',7-Flavandiol;4',7-dihydroxyflavan;7,4''-Dihydroxyflavan;2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(4-hydroxyphenyl)-;SCHEMBL2960172;DTXSID001218074;BDBM50241625

Chemical Property of 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol

Chemical Property:

• Vapor Pressure: 2.91E-09mmHg at 25°C
• Refractive Index: 1.644
• Boiling Point: 464.8°Cat760mmHg
• Flash Point: 234.9°C
• PSA: 49.69000
• Density: 1.286g/cm³
• LogP: 3.16410
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 242.094294304
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C(C=C2)O)OC1C3=CC=C(C=C3)O

Technology Process of 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol

There total 11 articles about 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol 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: 95.0%

(+/-)-7,4'-dimethoxymethoxyflavan (634922-75-1) → (+/-)-7,4'-dihydroxyflavan (494-48-4,82925-54-0,84368-88-7,118204-66-3)

Guidance literature:

With hydrogenchloride; In methanol; Heating;

DOI:10.1081/SCC-120024733

Reference yield:

7-hydroxy-2-(4'-hydroxyphenyl)benzopyrilium chloride (4082-08-0) → (+/-)-7,4'-dihydroxyflavan (494-48-4,82925-54-0,84368-88-7,118204-66-3)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid;

DOI:10.1016/0031-9422(80)85132-6

Reference yield:

4-Hydroxyacetophenone (99-93-4) → (+/-)-7,4'-dihydroxyflavan (494-48-4,82925-54-0,84368-88-7,118204-66-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.1 g / HCl / ethyl acetate / 72 h / 1 °C

2: 179 mg / H₂ / PtO₂ / acetic acid

With hydrogenchloride; hydrogen; platinum(IV) oxide; In acetic acid; ethyl acetate;

DOI:10.1016/0031-9422(80)85132-6

upstream raw materials:

7-hydroxy-2-(4'-hydroxyphenyl)benzopyrilium chloride

(+/-)-7,4'-dimethoxymethoxyflavan

2,4-bis(methoxymethoxy)benzaldehyde

1-[4-(methoxymethoxy)phenyl]-1-ethanone