Benzofuran-7-ol

Base Information

• Chemical Name: Benzofuran-7-ol
• CAS No.: 4790-81-2
• Molecular Formula: C8H6O2
• Molecular Weight: 134.134
• Hs Code.: 2932991000
• European Community (EC) Number: 225-338-8
• DSSTox Substance ID: DTXSID60197329
• Nikkaji Number: J262.454K
• Wikidata: Q72483240
• ChEMBL ID: CHEMBL351411
• Mol file: 4790-81-2.mol

Synonyms:Benzofuran-7-ol;4790-81-2;7-HYDROXYBENZOFURAN;1-benzofuran-7-ol;7-benzofuranol;7-Hydroxybenzo[b]furan;CHEMBL351411;EINECS 225-338-8;MFCD03788248;SCHEMBL276859;DTXSID60197329;BDBM50017828;AKOS006281646;AS-39370;SY011968;AM20040540;CS-0270589;FT-0621429;EN300-193509;J-519270

Chemical Property of Benzofuran-7-ol

Chemical Property:

• Vapor Pressure: 0.0166mmHg at 25°C
• Melting Point: 42 °C
• Refractive Index: 1.651
• Boiling Point: 247.1 °C at 760 mmHg
• PKA: 8.88±0.40(Predicted)
• Flash Point: 103.3 °C
• PSA: 33.37000
• Density: 1.28g/cm³
• LogP: 2.13840
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.036779430
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

7-Hydroxybenzo[b]furan 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)O)OC=C2

Technology Process of Benzofuran-7-ol

There total 7 articles about Benzofuran-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: 93.0%

7-chloro benzo[b]furan (24410-55-7) → benzofuran-7-ol (4790-81-2)

Guidance literature:

With t-BuBrettPhos; C₄₄H₆₂NO₅PPdS; water; potassium hydroxide; In 1,4-dioxane; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1021/jo500662s

Reference yield: 82.0%

→ benzofuran-7-ol (4790-81-2)

Guidance literature:

Reference yield: 58.0%

7-methoxybenzofuran (7168-85-6) → benzofuran-7-ol (4790-81-2)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 ℃; for 9h; Inert atmosphere;

DOI:10.1002/chem.201904987

upstream raw materials:

7-hydroxybenzo(b)furan-2-carboxylic acid

7-methoxybenzofuran

7-methoxybenzofuran-2-carboxylic acid

3-methoxy-2-hydroxybenzaldehyde

Downstream raw materials:

benzofuran-6-amine

1-benzhydryl-3-(benzofuran-7-yloxy)azetidine

2,3-dihydro-7-hydroxybenzofuran

Refernces

• 1、 -. "INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE". Page/Page column 147. . Retrieved 2018/06/30.
• 2、 -. "Substituted aromatic four ring anti-fungal compound and its preparation method and application". Paragraph 0124; 0125. . Retrieved 2016/10/08.