1-(5-Benzoyl-2-methylfuran-3-YL)ethanone

Base Information

• Chemical Name: 1-(5-Benzoyl-2-methylfuran-3-YL)ethanone
• CAS No.: 61667-75-2
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• DSSTox Substance ID: DTXSID50491045
• Nikkaji Number: J3.163.147E
• Wikidata: Q82335214
• Mol file: 61667-75-2.mol

Synonyms:61667-75-2;1-(5-BENZOYL-2-METHYLFURAN-3-YL)ETHANONE;DTXSID50491045;1-(5-Benzoyl-2-methylfuran-3-yl)ethan-1-one

Chemical Property of 1-(5-Benzoyl-2-methylfuran-3-YL)ethanone

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(O1)C(=O)C2=CC=CC=C2)C(=O)C

Technology Process of 1-(5-Benzoyl-2-methylfuran-3-YL)ethanone

There total 21 articles about 1-(5-Benzoyl-2-methylfuran-3-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: 88.0%

3-(3-phenylpropyl-2-yn-1-ylidene)-2,4-pentanedione (67082-95-5) → 1-(5-benzoyl-2-methylfuran-3-yl)ethanone (61667-75-2)

Guidance literature:

With gold(III) chloride; dihydrogen peroxide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1039/c0dt00024h

Reference yield: 72.0%

nitromethane (75-52-5) + 3-(3-phenylpropyl-2-yn-1-ylidene)-2,4-pentanedione (67082-95-5) → 1-(5-benzoyl-2-methylfuran-3-yl)ethanone (61667-75-2)

Guidance literature:

With copper(l) iodide; tetrakis(actonitrile)copper(I) hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 60 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02359

Reference yield: 67.0%

3-(3-phenylpropyl-2-yn-1-ylidene)-2,4-pentanedione (67082-95-5) + ethoxycarbonylmethylene triphenylarsorane (24143-94-0) → 1-(5-benzoyl-2-methylfuran-3-yl)ethanone (61667-75-2)

Guidance literature:

3-(3-phenylpropyl-2-yn-1-ylidene)-2,4-pentanedione; ethoxycarbonylmethylene triphenylarsorane; With silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 20 ℃; for 2h; Inert atmosphere;

With iodine; In 1,2-dichloro-ethane; at 20 ℃; for 24h;

DOI:10.1021/acs.joc.1c01109

upstream raw materials:

Phenylpropargyl aldehyde

3-(3-phenylpropyl-2-yn-1-ylidene)-2,4-pentanedione

acetylacetone

ethoxycarbonylmethylene triphenylarsorane