2-Bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone
• CAS No.: 67382-14-3
• Molecular Formula: C11H9BrO2
• Molecular Weight: 253.09
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID10397271
• Wikidata: Q82198477
• Mol file: 67382-14-3.mol

Synonyms:67382-14-3;2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone;2-bromo-1-(3-methyl-1-benzofuran-2-yl)ethan-1-one;2-bromo-1-(3-methylbenzofuran-2-yl)ethanone;C11H9BrO2;SCHEMBL719538;DTXSID10397271;JXQIYMVMYGFMFK-UHFFFAOYSA-N;AKOS000117472;CS-0221924;2-Bromo-1-(3-methyl-2-benzofuranyl)ethanone;EN300-10066;4-(4-Trifluoromethylphenoxy)piperidinehydrochloride;Z56347146;F2124-0739

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

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Boiling Point: 328.2°C at 760 mmHg
• Flash Point: 152.3°C
• PSA: 30.21000
• Density: 1.512g/cm³
• LogP: 3.31880
• XLogP3: 3.5
• 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:

99% ^*data from raw suppliers

2-BROMO-1-(3-METHYL-1-BENZOFURAN-2-YL)ETHANONE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C12)C(=O)CBr

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

There total 7 articles about 2-Bromo-1-(3-methyl-1-benzofuran-2-yl)ethanone 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: 67.0%

2-acetyl-3-methylbenzofuran (23911-56-0) → 2-Bromo-1-(3-methylbenzofuran-2-yl)ethanone (67382-14-3)

Guidance literature:

With bromine; In 1,4-dioxane; diethyl ether; at 25 - 30 ℃; for 1h;

Reference yield: 52.0%

3-methyl-benzofuran (21535-97-7) + 2-bromoacetyl chloride (22118-09-8) → 2-Bromo-1-(3-methylbenzofuran-2-yl)ethanone (67382-14-3)

Guidance literature:

With aluminium trichloride; In carbon disulfide; 1) 2 h, 5 deg C, 2) 12 h, r.t.;

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-Bromo-1-(3-methylbenzofuran-2-yl)ethanone (67382-14-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 58 percent / anhydrous K₂CO₃ / acetone / 58 h / Heating

2: 97 percent / Na₂CO₃ / H₂O / 1 h / Heating

3: 62 percent / CH₃CO₂Na, Ac₂O / 3 h / 160 °C

4: 52 percent / AlCl₃ / CS₂ / 1) 2 h, 5 deg C, 2) 12 h, r.t.

With aluminium trichloride; sodium acetate; acetic anhydride; sodium carbonate; potassium carbonate; In carbon disulfide; water; acetone;

upstream raw materials:

3-methyl-benzofuran

2-bromoacetyl chloride

2-acetyl-3-methylbenzofuran

2-(2'-acetylphenoxy)acetic acid ethyl ester

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