Ethanone, 1-(2-methyl-3-benzofuranyl)-

Base Information

• Chemical Name: Ethanone, 1-(2-methyl-3-benzofuranyl)-
• CAS No.: 40484-98-8
• Molecular Formula: C11H10O2
• Molecular Weight: 174.19600
• DSSTox Substance ID: DTXSID60480788
• Nikkaji Number: J2.600.583C
• Wikidata: Q82315860
• Mol file: 40484-98-8.mol

Synonyms:40484-98-8;1-(2-Methylbenzofuran-3-yl)ethanone;Ethanone, 1-(2-methyl-3-benzofuranyl)-;1-(2-Methyl-1-benzofuran-3-yl)ethan-1-one;1-(2-METHYL-1-BENZOFURAN-3-YL)ETHANONE;2-methyl-3-acetylbenzofuran;SCHEMBL9657351;DTXSID60480788;AKOS024056475;EN300-248119;F8881-3834;Z276572636

Chemical Property of Ethanone, 1-(2-methyl-3-benzofuranyl)-

Chemical Property:

• Vapor Pressure: 0.00449mmHg at 25°C
• Melting Point: 52 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 277.6oC at 760 mmHg
• Flash Point: 124.5oC
• PSA: 30.21000
• Density: 1.13g/cm3
• LogP: 2.94380
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

1-(2-methyl-1-benzofuran-3-yl)ethan-1-one ^*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)C

Technology Process of Ethanone, 1-(2-methyl-3-benzofuranyl)-

There total 18 articles about Ethanone, 1-(2-methyl-3-benzofuranyl)- 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: 85.0%

2-methylbenzofuran (4265-25-2) + acetyl chloride (75-36-5) → 1-(2-methylbenzofuran-3-yl)ethan-1-one (40484-98-8)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2017.06.036

Reference yield: 84.0%

C11H13NO2 → 1-(2-methylbenzofuran-3-yl)ethan-1-one (40484-98-8)

Guidance literature:

With gold(III) chloride; silver hexafluoroantimonate; In nitromethane; at 90 ℃; for 2h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo101357d

Reference yield: 83.0%

1-Bromo-2-iodobenzene (583-55-1) + acetylacetone (123-54-6,81235-32-7) → 1-(2-methylbenzofuran-3-yl)ethan-1-one (40484-98-8)

Guidance literature:

With copper(l) iodide; caesium carbonate; Trimethylacetic acid; In N,N-dimethyl-formamide; at 130 ℃; for 22h; regioselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1021/jo3014275

upstream raw materials:

2-methylbenzofuran

acetic anhydride

acetyl chloride

3-acetylbenzofuran-2-ylacetic acid

Downstream raw materials:

1-(2-methyl-benzofuran-3-yl)-ethanone-(2,4-dinitro-phenylhydrazone)

2-methyl-1-benzofuran-3-carboxylic acid

1-(3,5-dimethoxyphenyl)-1,2-bis(2-methylbenzofuran-3-yl)-2-oxoethyl acetate

1-(2-Methyl-benzofuran-3-yl)-3-(4-phenyl-piperazin-1-yl)-propan-1-ol