2-(Bromomethyl)benzofuran

Base Information

• Chemical Name: 2-(Bromomethyl)benzofuran
• CAS No.: 41014-27-1
• Molecular Formula: C9H7BrO
• Molecular Weight: 211.058
• Hs Code.: 2932999099
• European Community (EC) Number: 825-837-6
• DSSTox Substance ID: DTXSID80489632
• Mol file: 41014-27-1.mol

Synonyms:2-(BROMOMETHYL)BENZOFURAN;41014-27-1;2-(bromomethyl)-1-benzofuran;2-Bromomethyl-benzofuran;MFCD08235009;2-(bromomethyl)benzo[b]furan;Benzofuran, 2-(bromomethyl)-;bromomethylbenzofuran;2-Bromomethylbenzofuran;2-bromomethyl benzofuran;SCHEMBL119196;F2147-0215;DTXSID80489632;ARJOJUQBOMFBDN-UHFFFAOYSA-N;AC6096;AKOS005208342;AS-76778;SY045637;EN300-141042;2-(Bromomethyl)benzofuran;A849593

Chemical Property of 2-(Bromomethyl)benzofuran

Chemical Property:

• PSA: 13.14000
• LogP: 3.32770
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.96803
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(Bromomethyl)-1-benzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(O2)CBr

Technology Process of 2-(Bromomethyl)benzofuran

There total 8 articles about 2-(Bromomethyl)benzofuran 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%

benzofuran-2-yl-methanol (55038-01-2) → 2-bromomethylbenzofuran (41014-27-1)

Guidance literature:

With N-Bromosuccinimide; dimethylsulfane; In dichloromethane; at -30 - 20 ℃; for 2h; Inert atmosphere;

Reference yield: 62.0%

2-methylbenzofuran (4265-25-2) → 2-bromomethylbenzofuran (41014-27-1)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; Heating;

DOI:10.1021/jm00385a024

Reference yield:

2-formylbenzo[b]furan (4265-16-1) → 2-bromomethylbenzofuran (41014-27-1)

Guidance literature:

Multi-step reaction with 2 steps

1: DIBAL-H / tetrahydrofuran; hexane / 1 h / -78 °C

2: aq. HBr; H₂SO₄ / CH₂Cl₂ / 1.5 h

With sulfuric acid; hydrogen bromide; diisobutylaluminium hydride; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1021/jm020901d

upstream raw materials:

2-methylbenzofuran

benzofuran-2-yl-methanol

1-benzofurane

2-formylbenzo[b]furan

Downstream raw materials:

7-(benzofuran-2-ylmethoxy)-1-(2-fluorobenzyl)-4-methyl-1H-[1,2,3]triazolo[4,5-d]pyridazine

1-(benzofuran-2-ylmethyl)-4-(4-bromophenyl)piperidin-4-ol

1-(benzofuran-2-ylmethyl)-4-(4-iodomophenyl)piperidin-4-ol

ethyl 6-[(1-benzofuran-2-ylmethyl)sulfanyl]cyclohex-1-ene-1-carboxylate

Refernces

• 1、 -. "Immunomodulator". Paragraph 0200; 0205-0207. . Retrieved 2021/02/10.
• 2、 Bremer, Paul T.,Xue, Song,Janda, Kim D.. "Picolinic acids as β-exosite inhibitors of botulinum neurotoxin A light chain". supporting information. p. 12521 - 12524. Retrieved 2016/10/24.