2-(4-Hydroxy-phenyl)benzofuran-5-OL

Base Information

• Chemical Name: 2-(4-Hydroxy-phenyl)benzofuran-5-OL
• CAS No.: 52814-86-5
• Molecular Formula: C14H10O3
• Molecular Weight: 226.232
• DSSTox Substance ID: DTXSID60349669
• Nikkaji Number: J445.660B
• Wikidata: Q27095946
• Pharos Ligand ID: JFRWQ5L4RWRL
• Metabolomics Workbench ID: 150216
• ChEMBL ID: CHEMBL367588
• Mol file: 52814-86-5.mol

Synonyms:2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL;2-(4-hydroxyphenyl)-1-benzofuran-5-ol;52814-86-5;2-(4-Hydroxyphenyl)benzofuran-5-ol;2-(4-Hydroxy-phenyl)-benzofuran-5-ol;CHEMBL367588;1u9e;SCHEMBL3922677;DTXSID60349669;SNNNDCMXZYWCCI-UHFFFAOYSA-N;BDBM50152627;DB07032;PD005673;Q27095946

Chemical Property of 2-(4-Hydroxy-phenyl)benzofuran-5-OL

Chemical Property:

• Boiling Point: 435.0±30.0 °C(Predicted)
• PSA: 53.60000
• Density: 1.342±0.06 g/cm3(Predicted)
• LogP: 3.51100
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 226.062994177
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)O
• Uses: 2-(4-Hydroxyphenyl)-5-benzofuranol is used as a estrogen receptor beta (ERβ) agonist for treatment of fibrotic conditions.

Technology Process of 2-(4-Hydroxy-phenyl)benzofuran-5-OL

There total 9 articles about 2-(4-Hydroxy-phenyl)benzofuran-5-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: 91.0%

6-methoxy-2-(4-methoxyphenyl)benzofuran (19803-11-3) → 5-hydroxy-2-(4-hydroxyphenyl)benzo[b]furan (52814-86-5)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; for 12h;

DOI:10.1016/j.ejmech.2015.07.048

Reference yield: 51.0%

→ 5-hydroxy-2-(4-hydroxyphenyl)benzo[b]furan (52814-86-5)

Guidance literature:

Reference yield: 21.0%

1,2-epoxy-1-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethane → 5-hydroxy-2-(4-hydroxyphenyl)benzo[b]furan (52814-86-5)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)00462-8

upstream raw materials:

6-methoxy-2-(4-methoxyphenyl)benzofuran

C₉H₈Br₂O₂

2-hydroxy-5-methoxybenzaldehyde

4-methoxy-phenol

Downstream raw materials:

2,2-Dimethyl-propionic acid 2-[4-(2,2-dimethyl-propionyloxy)-phenyl]-benzofuran-5-yl ester