3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol

Base Information

• Chemical Name: 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol
• CAS No.: 76397-87-0
• Molecular Formula: C16H16 O4
• Molecular Weight: 272.301
• Hs Code.: 2932999099
• European Community (EC) Number: 278-435-2
• NSC Number: 600285
• DSSTox Substance ID: DTXSID70997771
• Nikkaji Number: J282.848K
• Pharos Ligand ID: WX6XX2VNNX32
• ChEMBL ID: CHEMBL239247
• Mol file: 76397-87-0.mol

Synonyms:76397-87-0;3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol;NSC600285;CHEMBL239247;EINECS 278-435-2;2H-1-Benzopyran-6,7-diol,3,4-dihydro-3-(4-methoxyphenyl)-;3-(4-METHOXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-6,7-DIOL;3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol;SCHEMBL10562731;DTXSID70997771;6,7-Dihydroxy-4-methoxyisoflavan;6,7-Dihydroxy-4'-methoxyisoflavan;6,7-dihydroxy-4''-methoxyisoflavan;BDBM50222276;NSC-600285;NCI60_004481;6,7-dihydroxy-3-(4-methoxyphenyl)chroman

Chemical Property of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol

Chemical Property:

• Vapor Pressure: 1.48E-09mmHg at 25°C
• Boiling Point: 472.6°C at 760 mmHg
• Flash Point: 239.6°C
• PSA: 58.92000
• Density: 1.282g/cm³
• LogP: 2.82510
• 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: 314

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O

Technology Process of 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol

There total 1 articles about 3,4-Dihydro-3-(4-methoxyphenyl)-2H-1-benzopyran-6,7-diol 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: 49.0%

6,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one (897-46-1) → 3,4-dihydro-6,7-dihydroxy-3-(4-methoxyphenyl)-2H-1-benzopyran (76397-87-0)

Guidance literature:

With sulfuric acid; hydrogen; acetic acid; palladium on activated charcoal; at 20 ℃; for 14h;

DOI:10.1016/j.bmc.2007.07.036

Reference yield:

Dichlorodiphenylmethane (2051-90-3) + 3,4-dihydro-6,7-dihydroxy-3-(4-methoxyphenyl)-2H-1-benzopyran (76397-87-0) → 3,4-dihydro-6,7-diphenylmethylenedioxy-3-(4-methoxyphenyl)-2H-1-benzopyran (116718-72-0)

Guidance literature:

With hydrogenchloride; triethylamine; In pyridine; water;

upstream raw materials:

6,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

Downstream raw materials:

3,4-dihydro-6,7-diphenylmethylenedioxy-3-(4-methoxyphenyl)-2H-1-benzopyran

Refernces