898764-27-7

Basic information

• Product Name: 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE
• Synonyms: 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE
• CAS NO: 898764-27-7
• Molecular Formula: C₁₇H₁₈O
• Molecular Weight: 238.32
• Mol File: 898764-27-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 387.9°C at 760 mmHg
• Flash Point: 168.7°C
• Appearance: /
• Density: 1.032g/cm³
• Vapor Pressure: 3.19E-06mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(898764-27-7)
• EPA Substance Registry System: 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE(898764-27-7)

Safety Data

• Hazardous Substances Data: 898764-27-7(Hazardous Substances Data)

Usage

General Description

2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE is a chemical compound with the molecular formula C15H16O. It is a ketone, which means it contains a carbonyl group bonded to two carbon atoms. 2',4'-DIMETHYL-3-PHENYLPROPIOPHENONE is a derivative of propiophenone, and it is characterized by the presence of two methyl groups at the 2' and 4' positions of the aromatic ring, as well as a phenyl group attached to the third carbon of the propiophenone backbone. It is commonly used in the synthesis of various pharmaceuticals and organic compounds due to its versatility in reactions and its potential for creating novel structures. Additionally, it may possess biological activity and is therefore an area of interest in medicinal chemistry and drug discovery.

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

Upstream product

• 22422-22-6 3-chloro-1-(2,4-dimethylphenyl)propan-1-one 
• 98-80-6 phenylboronic acid 
• 16017-30-4 1-ethynyl-2,4-dimethylbenzene 
• 100-51-6 benzyl alcohol 
• 99500-87-5 1-(2,4-dimethylphenyl)ethanol 
• 89-74-7 2,4-dimethylacetophenone. 

Relevant articles and documents

A Protic Mn(I) Complex Based on a Naphthyridine- N-oxide Scaffold: Protonation/Deprotonation Studies and Catalytic Applications for Alkylation of Ketones

A Mn(I) complex (1) bearing a proton responsive hydroxy unit on 1,8-naphthyridine-N-oxide scaffold (L1H) was synthesized. The molecular structure of 1 revealed the lactim form of the ligand. The corresponding deprotonated lactam complexes [18-C-6-K·2] and 3 were prepared and structurally characterized. The acid-base equilibrium between the lactim and lactam forms was studied by 1H NMR and UV-vis spectra. The catalytic efficiency of 1 was evaluated by performing α-alkylation reaction of ketones with primary alcohols. The scope of the α-alkylation reaction is broad in terms of both ketones and alcohols. The efficacy of the protic catalyst is demonstrated in the alkylation of the bioactive steroids progesterone and pregnenolone. A controlled catalyst [Mn(L2)(CO)3Br] (4), which is structurally similar to 1 but devoid of the proton responsive hydroxy unit, shows significantly reduced catalytic efficiency validating the crucial role of the hydroxy functionality in 1. Kinetic study, control reactions, and deuterium labeling experiments were conducted to gain mechanistic insights.

A method for synthesis of α-alkyl ketone

The invention discloses a method for synthesizing alpha-alkyl ketone. The method comprises the following steps: adding alkyne, [(IPr)AuCl], AgOTf, 1,4-dioxane and water in a reaction container, performing microwave reaction on a reaction mixture for 1h at 120 DEG C and cooling to room temperature; further adding [Cp*IrCl2]2, alkali and alcohol into the reaction mixture, performing microwave reaction on the reaction mixture for 2h at 130 DEG C and cooling to room temperature; filtering, performing rotary evaporation to remove a solvent, and then separating by a column to obtain a target compound. The method disclosed by the invention is started from chemical raw materials which are easy to obtain, namely alkyne, water and alcohol, alpha-alkyl ketone is obtained under the participation of gold and iridium catalysts, and the reaction only generates water as a byproduct. Therefore, the reaction is in line with the requirements of green chemistry and has broad development prospects.