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

Base Information

• Chemical Name: Ethanone, 1-(3-methyl-2-benzofuranyl)-
• CAS No.: 23911-56-0
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.1959
• Hs Code.: 2932999099
• European Community (EC) Number: 429-100-6,638-742-8
• DSSTox Substance ID: DTXSID9074357
• Nikkaji Number: J2.891.903D
• Wikidata: Q82002724

Synonyms:23911-56-0;1-(3-methylbenzofuran-2-yl)ethanone;1-(3-methyl-1-benzofuran-2-yl)ethanone;Ethanone, 1-(3-methyl-2-benzofuranyl)-;1-(3-Methyl-2-benzofuranyl)ethanone;Nerolione;1-(3-methyl-benzofuran-2-yl)ethanone;1-(3-methyl-1-benzofuran-2-yl)ethan-1-one;SCHEMBL114250;DTXSID9074357;MTNZPWYMBRSDTL-UHFFFAOYSA-N;1-(3-methyl-benzofuranyl)-ethanone;1-(3-methylbenzo[b]furanyl)ethanone;MFCD06357331;SC5132;AKOS000118699;1-(3-Methyl-2-benzofuranyl)-ethanone;3-methylbenzo(b)furan-2-yl methyl ketone;AS-54694;CS-0062605;FT-0706528;EN300-09267;Z56346921

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

Chemical Property:

• Appearance/Colour: colorless to pale yellow clear liquid
• Vapor Pressure: 0.00383mmHg at 25°C
• Boiling Point: 280.2 ºC at 760 mmHg
• Flash Point: 126 ºC
• PSA: 30.21000
• Density: 1.13 g/cm³
• LogP: 2.94380
• Water Solubility.: 189mg/L at 20℃
• XLogP3: 2.7
• 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:

99.9% ^*data from raw suppliers

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)C

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

There total 14 articles about Ethanone, 1-(3-methyl-2-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: 97.0%

1-(3-methyl-1-benzofuran-2-yl)ethanol (1158018-33-7) → 2-acetyl-3-methylbenzofuran (23911-56-0)

Guidance literature:

With 2,2'-phenanthroline; di-tert-butyl-diazodicarboxylate; potassium carbonate; copper(l) chloride; In toluene; at 80 ℃; for 4h;

DOI:10.1021/ol300186s

Reference yield: 92.0%

C11H11BrO (1224596-53-5) → 2-acetyl-3-methylbenzofuran (23911-56-0)

Guidance literature:

With potassium nitrite; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; oxygen; In water; for 3.5h; Reflux;

DOI:10.1080/00397910903040245

Reference yield: 90.0%

3-methyl-1-benzofuran-2-carboxylic acid (24673-56-1) + acetonitrile (75-05-8,26809-02-9) → 2-acetyl-3-methylbenzofuran (23911-56-0)

Guidance literature:

3-methyl-1-benzofuran-2-carboxylic acid; acetonitrile; With palladium(II) trifluoroacetate; 6-methyl-2,2'-bipyridine; In water; at 130 ℃; for 1h; Microwave irradiation;

With formic acid; In water; at 100 ℃; for 1h;

DOI:10.1002/anie.201003009

upstream raw materials:

3-methyl-benzofuran

acetyl chloride

o-hydroxyacetophenone

chloroacetone

Downstream raw materials:

2-Bromo-1-(3-methylbenzofuran-2-yl)ethanone

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