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

Description

(1E)-2,2-dimethyl-1-phenylpropan-1-one oxime, also known as dimethylphenylpropanoxime, is a chemical compound that features a ketone oxime functional group attached to a phenyl ring and a branched alkyl group. It is recognized for its potential applications in medicinal chemistry, organic synthesis, and for possessing antimicrobial and antioxidant properties, making it a versatile compound in the fields of chemistry and biology.

Uses

Used in Organic Synthesis:
(1E)-2,2-dimethyl-1-phenylpropan-1-one oxime serves as a reagent in organic synthesis, facilitating the creation of a variety of organic compounds due to its unique structural features.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime is utilized as a building block for the synthesis of new pharmaceuticals, contributing to the development of innovative treatments and therapies.
Used in Antimicrobial Applications:
(1E)-2,2-dimethyl-1-phenylpropan-1-one oxime has been investigated for its antimicrobial properties, making it a potential candidate for use in applications aimed at controlling or preventing microbial growth.
Used in Antioxidant Applications:
The antioxidant properties of (1E)-2,2-dimethyl-1-phenylpropan-1-one oxime have been studied, suggesting its use in applications that require the neutralization of harmful free radicals, thus offering protective effects in various chemical and biological processes.

Upstream product

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

Downstream Products

• 19692-54-7 pivalophenone-((Z)-O-picryl oxime ) 
• 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 
• 6625-74-7 N-pivaloylaniline 
• 5894-65-5 N-t-butylbenzamide 
• 100-47-0 benzonitrile 
• 61501-04-0 2,2-dimethyl-1-phenyl-propylamine 

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.