Benzofuran-3-ylmethanol

Base Information

• Chemical Name: Benzofuran-3-ylmethanol
• CAS No.: 4687-23-4
• Molecular Formula: C9H8O2
• Molecular Weight: 148.161
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20394832
• Nikkaji Number: J907.870C
• Wikidata: Q82194471
• Mol file: 4687-23-4.mol

Synonyms:Benzofuran-3-ylmethanol;4687-23-4;3-(Hydroxymethyl)benzofuran;1-benzofuran-3-ylmethanol;benzofuran-3-yl-methanol;MFCD05148738;3-Hydroxymethylbenzofuran;3-Hydroxymethylbenzo[b]furan;Benzofuran-3-methanol;(1-benzofuran-3-yl)methanol;SCHEMBL6511946;DTXSID20394832;NTWWUWHQMMQLSI-UHFFFAOYSA-N;AC6184;AKOS013449242;AC-26874;SY045671;CS-0378436

Chemical Property of Benzofuran-3-ylmethanol

Chemical Property:

• PSA: 33.37000
• LogP: 1.92510
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.052429494
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

95% ^*data from raw suppliers

Benzofuran-3-ylmethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CO2)CO

Technology Process of Benzofuran-3-ylmethanol

There total 23 articles about Benzofuran-3-ylmethanol 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: 100.0%

benzofurane-3-carboxylic acid (26537-68-8) → 3-hydroxymethylbenzofuran (4687-23-4)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/S0968-0896(99)00268-0

Reference yield: 98.0%

1-benzofuran-3-carbaldehyde (4687-25-6) → 3-hydroxymethylbenzofuran (4687-23-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 1.5h;

DOI:10.1002/anie.201503976

Reference yield: 98.0%

benzofuran-3-carboxylic acid methyl ester (4687-24-5) → 3-hydroxymethylbenzofuran (4687-23-4)

Guidance literature:

With sodium hydroxide; diisobutylaluminium hydride; In tetrahydrofuran; methanol; water; toluene;

upstream raw materials:

benzofurane-3-carboxylic acid

benzofuran-3-carboxylic acid ethyl ester

2-Iodophenol

1-(tert-butyldimethylsilyl)-3-(tert-butyldimethylsilyloxy)propyne

Downstream raw materials:

3-bromomethylbenzofuran

(benzofuran-3-yl)methyl chloride

3-((2-iodophenoxy)methyl)benzofuran

benzofuran-3-carboxaldehyde oxime

Refernces

• 1、 -. "Boronic acid derivatives". Paragraph 0098-0104. . Retrieved 2021/07/21.
• 2、 Aleku, Godwin A.,Leys, David,Roberts, George W.. "Biocatalytic reduction of α,β-unsaturated carboxylic acids to allylic alcohols". . p. 3927 - 3939. Retrieved 2020/07/09.