2-Acetylbenzofuran

Base Information

• Chemical Name: 2-Acetylbenzofuran
• CAS No.: 1646-26-0
• Molecular Formula: C10H8O2
• Molecular Weight: 160.172
• Hs Code.: 29329985
• European Community (EC) Number: 216-706-9
• NSC Number: 28904,23974
• UNII: A1FJQ7D0K3
• DSSTox Substance ID: DTXSID3061845
• Nikkaji Number: J71.201I
• Wikidata: Q27273504
• ChEMBL ID: CHEMBL561390
• Mol file: 1646-26-0.mol

Synonyms:2-acetylbenzofuran;acetylbenzofuran

Chemical Property of 2-Acetylbenzofuran

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.00651mmHg at 25°C
• Melting Point: 70-72 °C(lit.)
• Refractive Index: 1.588
• Boiling Point: 271.3 °C at 760 mmHg
• Flash Point: 112.8 °C
• PSA: 30.21000
• Density: 1.161 g/cm³
• LogP: 2.63540
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99.9% ^*data from raw suppliers

2-Acetylbenzofuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40-52
• Safety Statements: 22-24/25-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC2=CC=CC=C2O1
• Uses: 2-Acetylbenzo[b]furan is used as a fine chemical intermediate. 2-Benzofuranyl methyl ketone ( 2-Acetylbenzofuran) has been used to synthesize many benzofuran derivatives. It is also used to prepare fluorinated chalcones.

Technology Process of 2-Acetylbenzofuran

There total 47 articles about 2-Acetylbenzofuran 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: 96.0%

salicylaldehyde (90-02-8) + chloroacetone (78-95-5) → 1-(benzo[b]furan-2-yl)ethanone (1646-26-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere; Molecular sieve;

DOI:10.1039/c8cc06864j

Reference yield: 96.0%

1-(benzofuran-2-yl)-2-bromoethan-1-one (23489-36-3) → 1-(benzo[b]furan-2-yl)ethanone (1646-26-0)

Guidance literature:

With benzoic acid; zinc; In acetonitrile; at 25 ℃; for 2h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/acs.joc.9b02026

Reference yield: 96.0%

1-(1-(benzofuran-2-yl)ethyl) indoline → 1-(benzo[b]furan-2-yl)ethanone (1646-26-0)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1002/jhet.2457

upstream raw materials:

1-benzofurane

acetic anhydride

1-(benzofuran-2-yl)-2-diazoethanone

salicylaldehyde

Downstream raw materials:

1-benzofuran-2-yl-3-furan-2-yl-propenone

1-benzofuran-2-yl-5-phenyl-penta-2,4-dien-1-one

(1-benzofuran-2-yl-ethyl)-methyl-amine

N’-(1-(benzofuran-2-yl)ethylidene)isonicotinohydrazide