64648-09-5

Basic information

• Product Name: Ethanone, 1-[2-hydroxy-4-methyl-6-(phenylmethyl)[1,1'-biphenyl]-3-yl]-
• Synonyms: 2-Acetyl-5-benzyl-6-phenyl-3-cresol;4'-Benzyl-2'-hydroxy-6'-methyl-3'-phenylacetophenon
• CAS NO: 64648-09-5
• Molecular Formula: C22H20O2
• Molecular Weight: 316.4
• Mol File: 64648-09-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 124°C
• CAS DataBase Reference: Ethanone, 1-[2-hydroxy-4-methyl-6-(phenylmethyl)[1,1'-biphenyl]-3-yl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 1-[2-hydroxy-4-methyl-6-(phenylmethyl)[1,1'-biphenyl]-3-yl]-(64648-09-5)
• EPA Substance Registry System: Ethanone, 1-[2-hydroxy-4-methyl-6-(phenylmethyl)[1,1'-biphenyl]-3-yl]-(64648-09-5)

Safety Data

• Hazardous Substances Data: 64648-09-5(Hazardous Substances Data)

Usage

Preparation

Obtained by a potassium fluoride catalyzed self-condensation of 1-phenyl-2,4-pentanedione in DMF solution.

Upstream product

• 3318-61-4 1-phenyl-2,4-pentanedione 

Relevant articles and documents

Direct Structure Determination of the Self-Condensation Product of 1-Phenylpentane-2,4-dione Using T1 and NOE Measurements from 13C NMR Spectroscopy

The nuclear Overhauser effect (NOE) is known to depend on molecular dynamics and structure.However, in some cases the values obtained for selective homonuclear and heteronuclear NOE are much too small, considering that the nuclei involved are located within a short distance of each other in space.A quantitative treatment of the NOE values alllows a clear explanation of this apparent anomaly, and allows the possibility of using T1 and NOE values measured with broad-band proton irradiation.The corresponding relationship is useful for solving many structural problems in organic chemistry, and has the great advantage of employing the typical high resolution of fully decoupled spectra.The method was used in this work for the structure determination of teh self-condensation product of 1-phenylpentane-2,4-dione, and it was concluded tha the previous assignment of the 13C NMR spectrum was erroneous.An independent proof of the new assignment is given using the selective collapse of the fine structure under low-power irradiation of the methyl protons.