2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one
• CAS No.: 124617-51-2
• Molecular Formula: C₁₁H₉BrO₂
• Molecular Weight: 253.095
• DSSTox Substance ID: DTXSID70561113
• Wikidata: Q82444777
• Mol file: 124617-51-2.mol

Synonyms:124617-51-2;2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one;2-bromo-1-(2-methyl-1-benzofuran-3-yl)ethanone;2-bromo-1-(2-methylbenzofuran-3-yl)ethanone;DTXSID70561113;AKOS026744372

Chemical Property of 2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one

Chemical Property:

• PSA: 30.21000
• LogP: 3.31880
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.97859
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

2-BROMO-1-(2-METHYL-BENZOFURAN-3-YL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C2=CC=CC=C2O1)C(=O)CBr

Technology Process of 2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one

There total 2 articles about 2-Bromo-1-(2-methyl-1-benzofuran-3-yl)ethan-1-one 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: 66.0%

1-(2-methylbenzofuran-3-yl)ethan-1-one (40484-98-8) → 2-Bromo-1-(2-methyl-benzofuran-3-yl)-ethanone (124617-51-2) + 2,2-Dibromo-1-(2-methyl-benzofuran-3-yl)-ethanone (124617-50-1)

Guidance literature:

With phenyltrimethylammonium tribromide; In tetrahydrofuran; diethyl ether; for 2h;

Reference yield:

2-methylbenzofuran (4265-25-2) → 2-Bromo-1-(2-methyl-benzofuran-3-yl)-ethanone (124617-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 15.3 g / stannic chloride / CS₂ / 20 h / Ambient temperature

2: 25 percent / trimethylphenylammonium bromide perbromide / diethyl ether; tetrahydrofuran / 2 h

With phenyltrimethylammonium tribromide; tin(IV) chloride; In tetrahydrofuran; carbon disulfide; diethyl ether;

upstream raw materials:

1-(2-methylbenzofuran-3-yl)ethan-1-one

2-methylbenzofuran