[3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)methanone

Base Information

• Chemical Name: [3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)methanone
• CAS No.: 67534-81-0
• Molecular Formula: C16H11BrO2
• Molecular Weight: 315.1613
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30377136
• Wikidata: Q82166213
• Mol file: 67534-81-0.mol

Synonyms:67534-81-0;[3-(bromomethyl)-1-benzofuran-2-yl](phenyl)methanone;(3-(Bromomethyl)benzofuran-2-yl)(phenyl)methanone;[3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)-methanone;[3-(bromomethyl)-1-benzofuran-2-yl]-phenylmethanone;2-benzoyl-3-(bromomethyl)-1-benzofuran;DTXSID30377136;MFCD05663788;AKOS005070249;3J-584S;CS-0362867;FT-0641129;[3-(bromomethyl)benzofuran-2-yl]-phenyl-methanone;A835794;J-501083

Chemical Property of [3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)methanone

Chemical Property:

• Vapor Pressure: 1.02E-08mmHg at 25°C
• Melting Point: 104-106oC
• Boiling Point: 462°Cat760mmHg
• Flash Point: 233.2°C
• PSA: 30.21000
• Density: 1.473g/cm³
• LogP: 4.55870
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.99424
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

98%Min ^*data from raw suppliers

[3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)-methanone >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CBr

Technology Process of [3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)methanone

There total 4 articles about [3-(Bromomethyl)-1-benzofuran-2-yl](phenyl)methanone 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: 75.0%

(3-methylbenzofuran-2-yl)(phenyl)methanone (14178-66-6) → 2-Benzoyl-3-(bromomethyl)-1-benzofuran (67534-81-0)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 5h; Heating;

DOI:10.1135/cccc20001093

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-Benzoyl-3-(bromomethyl)-1-benzofuran (67534-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / potassium carbonate / acetonitrile / 4 h / Heating

2: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 5 h

With N-Bromosuccinimide; potassium carbonate; dibenzoyl peroxide; In tetrachloromethane; acetonitrile;

DOI:10.1016/j.ejmech.2005.12.013

Reference yield:

α-bromoacetophenone (70-11-1) → 2-Benzoyl-3-(bromomethyl)-1-benzofuran (67534-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / potassium carbonate / acetonitrile / 4 h / Heating

2: N-bromosuccinimide; benzoyl peroxide / CCl₄ / 5 h

With N-Bromosuccinimide; potassium carbonate; dibenzoyl peroxide; In tetrachloromethane; acetonitrile;

DOI:10.1016/j.ejmech.2005.12.013

upstream raw materials:

(3-methylbenzofuran-2-yl)(phenyl)methanone

o-hydroxyacetophenone

α-bromoacetophenone

Downstream raw materials:

phenyl-(3-[1,2,4]triazol-1-ylmethyl-benzofuran-2-yl)-methanone

(3-imidazol-1-ylmethyl-benzofuran-2-yl)-phenyl-methanone

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