158511-72-9

Basic information

• Product Name: 3',4'-DIMETHYL-3-PHENYLPROPIOPHENONE
• Synonyms: 3',4'-DIMETHYL-3-PHENYLPROPIOPHENONE
• CAS NO: 158511-72-9
• Molecular Formula: C₁₇H₁₈O
• Molecular Weight: 238.32
• Mol File: 158511-72-9.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 388.9°C at 760 mmHg
• Flash Point: 169.3°C
• Appearance: /
• Density: 1.032g/cm³
• Vapor Pressure: 2.96E-06mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 3',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(158511-72-9)
• EPA Substance Registry System: 3',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(158511-72-9)

Safety Data

• Hazardous Substances Data: 158511-72-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H18O/c1-13-8-10-16(12-14(13)2)17(18)11-9-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3

Upstream product

• 100-51-6 benzyl alcohol 
• 3637-01-2 3,4-dimethylacetophenone 
• 22422-23-7 3-chloro-1-(3,4-dimethyl-phenyl)-propan-1-one 
• 98-80-6 phenylboronic acid 

Relevant articles and documents

C-C coupling formation using nitron complexes

A series of RuII (1), RhIII (2), IrIII (3, 4), IrI (5) and PdII (6-9) complexes of the 'instant carbene' nitron were prepared and characterized by 1H- and 13C-NMR, FT-IR and elemental analysis. The molecular structures of complexes 1-4 and 6 were determined by X-ray diffraction studies. The catalytic activity of the complexes (1-9) was evaluated in alpha(α)-alkylation reactions of ketones with alcohol via the borrowing hydrogen strategy under mild conditions. These complexes were able to perform this catalytic transformation in a short time with low catalyst and base amounts under an air atmosphere. Also, the PdII-nitron complexes (6-9) were applied in the Suzuki-Miyaura C-C coupling reaction and these complexes successfully initiated this reaction in a short time (30 minutes) using the H2O/2-propanol (1.5?:?0.5) solvent system. The DFT calculations revealed that the Pd0/II/0 pathway was more preferable for the mechanism

In Water and under Mild Conditions: α-Alkylation of Ketones with Alcohols by Phase-Transfer-Assisted Borrowing Hydrogen Catalysis

Borrowing hydrogen is a powerful and green technique that allows readily available alcohols to be used as alkylating agents and produces water as the only by-product. Nevertheless, harsh conditions such as high temperatures and organic solvents are usually required. Herein, we present a strategy to perform the α-alkylation of ketones in aqueous media at mild temperatures by combining borrowing hydrogen with phase-transfer catalysis. A broad scope of methyl ketones was functionalized with alkyl and benzyl alcohols in moderate to good yields at 40 °C. The protocol was also highly effective at large scale and room temperature.