3-Acetyl-2-ethylbenzofuran

Base Information

• Chemical Name: 3-Acetyl-2-ethylbenzofuran
• CAS No.: 4265-18-3
• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.226
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID20480789
• Wikidata: Q72435178
• Mol file: 4265-18-3.mol

Synonyms:4265-18-3;3-ACETYL-2-ETHYLBENZOFURAN;1-(2-Ethylbenzofuran-3-yl)ethanone;1-(2-ethyl-1-benzofuran-3-yl)ethanone;1-(2-ethylbenzofuran-3-yl)ethan-1-one;1-(2-ethyl-1-benzofuran-3-yl)ethan-1-one;DTXSID20480789;AKOS012255002

Chemical Property of 3-Acetyl-2-ethylbenzofuran

Chemical Property:

• Refractive Index: 1.5679
• Boiling Point: 298 ºC
• Flash Point: 136 ºC
• PSA: 30.21000
• Density: 1.102
• LogP: 3.19780
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.083729621
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Ethylbenzofuran-3-yl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C

Technology Process of 3-Acetyl-2-ethylbenzofuran

There total 7 articles about 3-Acetyl-2-ethylbenzofuran 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: 45.0%

hexane-2,4-dione (3002-24-2) + O-phenylhydroxylamine (4846-21-3) → 3-acetyl-2-ethylbenzofuran (4265-18-3) + 1-(2-methylbenzofuran-3-yl)propan-1-one (14714-52-4)

Guidance literature:

With gold(III) chloride; silver hexafluoroantimonate; In nitromethane; at 90 ℃; for 4h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo101357d

Reference yield:

1-(benzo[b]furan-2-yl)ethanone (1646-26-0) → 3-acetyl-2-ethylbenzofuran (4265-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethylene glycol; hydrazine hydrate / anschliessend mit Kaliumhydroxid

2: tin (IV)-chloride; carbon disulfide

With carbon disulfide; tin(IV) chloride; hydrazine hydrate; diethylene glycol;

Reference yield:

salicylaldehyde (90-02-8) → 3-acetyl-2-ethylbenzofuran (4265-18-3)

Guidance literature:

Multi-step reaction with 3 steps

1: benzene

2: diethylene glycol; hydrazine hydrate / anschliessend mit Kaliumhydroxid

3: tin (IV)-chloride; carbon disulfide

With carbon disulfide; tin(IV) chloride; hydrazine hydrate; diethylene glycol; benzene;

upstream raw materials:

2-ethylbenzofuran

4-acetoxybenzoyl chloride

acetyl chloride

3-(chlorocarbonyl)phenyl acetate

Downstream raw materials:

C₁₉H₁₉NO₄S

N⁽²⁾,N'(2')-butanediyl-1,4 bis(amino-2 ethyl-4 methyl-6 o-hydroxyphenyl-5 pyrimidine)

N-[4-ethyl-5-(2-hydroxy-phenyl)-6-methyl-pyrimidin-2-yl]-morpholine-4-carboximidic acid amide

2-(3-ethyl-5-methyl-isoxazol-4-yl)-phenol

Refernces