6668-41-3

Basic information

• Product Name: (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime
• Synonyms: 2,2-dimethyl-1-phenylpropan-1-one oxime
• CAS NO: 6668-41-3
• Molecular Formula: C₁₁H₁₅NO
• Molecular Weight: 177.2429
• Mol File: 6668-41-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 279.4°C at 760 mmHg
• Flash Point: 164.4°C
• Density: 0.95g/cm³
• Vapor Pressure: 0.00192mmHg at 25°C
• Refractive Index: 1.499
• CAS DataBase Reference: (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime(CAS DataBase Reference)
• NIST Chemistry Reference: (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime(6668-41-3)
• EPA Substance Registry System: (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime(6668-41-3)

Safety Data

• Hazardous Substances Data: 6668-41-3(Hazardous Substances Data)

Usage

General Description

(1E)-2,2-dimethyl-1-phenylpropan-1-one oxime, also known as dimethylphenylpropanoxime, is a chemical compound consisting of a ketone oxime functional group attached to a phenyl ring and a branched alkyl group. It is commonly used as a reagent in organic synthesis and as a building block for the synthesis of various organic compounds. (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime has been studied for its potential applications in medicinal chemistry, particularly in the development of new pharmaceuticals. Additionally, it has also been investigated for its antimicrobial and antioxidant properties. Overall, (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime is a versatile compound with several potential applications in various fields of chemistry and biology.

Upstream product

• 3835-64-1 2,2-dimethyl-1-phenylpropan-1-ol 
• 100-47-0 benzonitrile 
• 3282-30-2 pivaloyl chloride 
• 938-16-9 2,2-dimethylpropiophenone 

Downstream Products

• 6625-74-7 N-pivaloylaniline 
• 1313534-35-8 1-(tert-butyl)-3,4-diphenylisoquinoline 
• 1313533-72-0 (Z)-2,2-dimethylpropiophenone O-acetyl oxime 
• 1206488-73-4 N-(2,2-dimethyl)propyl-N-phenyl-4-nitrobenzamide 
• 349091-28-7 C₁₈H₂₀N₂O₃ 
• 7210-81-3 N-neopentylaniline 
• 3378-72-1 N-tert-butylbenzylamine 
• 5894-65-5 N-t-butylbenzamide 
• 100-47-0 benzonitrile 
• 61501-04-0 2,2-dimethyl-1-phenyl-propylamine 
• 19692-54-7 pivalophenone-((Z)-O-picryl oxime ) 

Relevant articles and documents

Arylketones as Aryl Donors in Palladium-Catalyzed Suzuki-Miyaura Couplings

Herein, we report the arylation, alkylation, and alkenylation of aryl ketones via a palladium-catalyzed Suzuki-Miyaura cross-coupling reaction. The use of the pyridine-oxazoline ligand is the key to the cleavage of the unstrained C-C bond. The late-stage arylation of aryl ketones derived from drugs and natural products demonstrated the synthetic utility of this protocol.

Regioselective synthesis of heterocycles containing nitrogen neighboring an aromatic ring by reductive ring expansion using diisobutylaluminum hydride and studies on the reaction mechanism

(Chemical Equation Presented) A systematic investigation of the reductive ring-expansion reaction of cyclic ketoximes fused to aromatic ringswith diisobutylaluminum hydride (DIBALH) is described. This reaction regioselectively afforded a variety of five- to eight-membered bicyclic heterocycles or tricyclic heterocycles containing nitrogen neighboring an aromatic ring, including indoline, 1,2,3,4,5,6-hexahydrobenz[b]azocine, 3,4-dihydro-2H-benzo[b] [1,4]oxazine, 2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine, 1,2,3,4,5,6- hexahydroazepino[3,2-b]-indole, 2,3,4,5-tetrahydro-1H-benzothieno[2,3-b]azepine, 2,3,4,5-tetrahydro-1H-benzothieno[3,2-b]-azepine, 5,6-dihydrophenanthridine, and 5,6,11,12-tetrahydrodibenz[b, f]azocine. The reaction mechanism leading to the rearrangement was investigated on the basis of the restricted Becke three-parameter plus Lee-Yang-Parr (B3LYP) density functional theory (DFT) with the 6-31G (d) basis set. It was found that the reaction proceeds through a three-centered transition state via a stepwise mechanism because the potential energy curve along the intrinsic reaction coordinate (IRC) had twomaxima (saddle points; TS1 and TS2) and the partial phenonium cation intermediate C. In addition to cyclic ketoximes fused to aromatic rings, the reactions of various cyclic and acyclic ketoximeswere examined to investigate preference of migrating group. It was found that themore electron-rich group migrated preferentially to give the corresponding secondary amines.