31366-07-1

Basic information

• Product Name: 3,3-dimethyl-1-phenylbutan-1-one
• Synonyms: 3,3-dimethyl-1-phenylbutan-1-one
• CAS NO: 31366-07-1
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.26
• Mol File: 31366-07-1.mol
• Article Data: 29

Chemical Properties

• Melting Point: 88-89 °C
• Boiling Point: 247.3°C at 760 mmHg
• Flash Point: 96°C
• Appearance: /
• Density: 0.942g/cm³
• Vapor Pressure: 0.0259mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: 3,3-dimethyl-1-phenylbutan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-dimethyl-1-phenylbutan-1-one(31366-07-1)
• EPA Substance Registry System: 3,3-dimethyl-1-phenylbutan-1-one(31366-07-1)

Safety Data

• Hazardous Substances Data: 31366-07-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 102, p. 6185, 1980 DOI: 10.1021/ja00539a056

InChI:InChI=1/C12H16O/c1-12(2,3)9-11(13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

Upstream product

• 7065-46-5 3,3-dimethylbutanoic acid chloride 
• 71-43-2 benzene 
• 13735-81-4 1-styrenyloxytrimethylsilane 
• 507-20-0 tertiary butyl chloride 
• 5650-07-7 3-methyl-1-phenyl-but-2-en-1-one 
• 15681-48-8 lithium dimethylcuprate 
• 1070-83-3 tert-Butylacetic acid 
• 591-51-5 phenyllithium 
• 917-92-0 3,3-Dimethylbut-1-yne 
• 3677-81-4 diphenylboronchloride 
• 5123-17-1 bromodiphenylborane 
• 4250-82-2 (3,3-dimethyl-but-1-ynyl)benzene 
• 16717-64-9 1-azidostyrene 
• 594-19-4 tert.-butyl lithium 

Downstream Products

• 14392-86-0 phenyl 3,3-dimethylbutyrate 
• 62338-03-8 α-neo-pentylbenzyl alcohol 
• 38050-56-5 (3,3-dimethyl-1-phenyl-butylidene)-hydrazinecarboxylic acid ethyl ester 
• 71491-53-7 2-chloro-3,3-dimethyl-1-phenyl-1-butanone 
• 17314-92-0 (3,3-dimethylbutyl)benzene 
• 89549-37-1 N-pivaloyl benzamide 
• 82894-43-7 β,β-dimethyl-α-oximinobutyrophenone 
• 33119-75-4 2-Brom-3,3-dimethyl-1-phenyl-1-butanon 
• 121435-99-2 Z-2-hydroxyimino-1-phenyl-3,3-dimethylbutan-1-one 
• 81788-82-1 (R,R/S,S)-2-(Bromphenylmethyl)-3,3-dimethyl-1-phenyl-1-butanon 
• 104722-24-9 ((Z)-1-Methoxy-3,3-dimethyl-but-1-enyl)-benzene 
• 100649-51-2 ββ-di-isopropyl-α-neopentylstyrene 
• 106149-64-8 2,2,9,9-tetramethyl-4,7-diphenyldec-5-yn-4,7-diol 
• 71527-78-1 2,2-Dichloro-3,3-dimethyl-1-phenyl-butan-1-one 

Relevant articles and documents

Identification of a novel neuropeptide s receptor antagonist scaffold based on the sha-68 core

Activation of the neuropeptide S receptor (NPSR) system has been shown to produce an-xiolytic-like actions, arousal, and enhance memory consolidation, whereas blockade of the NPSR has been shown to reduce relapse to substances of abuse and duration of anesthetics. We report here the discovery of a novel core scaffold (+) N-benzyl-3-(2-methylpropyl)-1-oxo-3-phenyl-1H,3H,4H,5H,6H,7H-furo[3,4-c]pyridine-5-carboxamide with potent NPSR antagonist activity in vitro. Pharmacokinetic parameters demonstrate that 14b reaches pharmacologically relevant levels in plasma and the brain following intraperitoneal (i.p.) administration, but is cleared rapidly from plasma. Compound 14b was able to block NPS (0.3 nmol)-stimulated locomotor activity in C57/Bl6 mice at 3 mg/kg (i.p.), indicating potent in vivo activity for the structural class. This suggests that 14b can serve as a useful tool for continued mapping of the pharmacological functions of the NPS receptor system.

Method for synthesizing aryl ketone compound by taking AQ as photocatalyst

The invention provides a method for synthesizing an aryl ketone compound by taking AQ as a photocatalyst. The method comprises the following steps that AQ serves as a photocatalyst; under the conditions of a palladium catalyst, a phosphine ligand, weak base and an organic solvent, a 390-to-430-nm photocatalysis lamp is used for irradiation at room temperature in an inert protective atmosphere, soan aldehyde group-containing compound reacts with Ar-X, wherein Ar-X is aryl halide or aryl trifluoromethanesulfonic acid, the aryl halide is aryl bromide or aryl iodide, and the aldehyde group-containing compound is one selected from aryl aldehyde, alkyl aldehyde, linear primary aldehyde and acyclic secondary aldehyde. According to the invention, the anthraquinone (AQ) HAT photocatalyst and palladium catalyst are combined for use, C-H arylation and alkenylation reactions of aldehyde can be directly carried out to synthesize ketone, and reaction efficiency is high. The method has the advantages of mild reaction conditions, high yield and a wide substrate application range, and can be used for synthesizing natural products in medicinal plants.

Fe-Catalyzed decarbonylative alkylation-peroxidation of alkenes with aliphatic aldehydes and hydroperoxide under mild conditions

A convenient Fe-catalyzed decarbonylative alkylation-peroxidation of alkenes with aliphatic aldehydes and TBHP to provide chain elongated peroxides is developed, which is further applied to the one-pot synthesis of alkylated ketones. Aliphatic aldehydes were decarbonylated into 1°, 2° and 3° alkyl radicals at low temperature which subsequently allows the cascade construction of C(sp3)-C(sp3) and C(sp3)-O bonds via radical insertion and radical-radical coupling. Various alkenes including mono-substituted, terminally disubstituted or internally disubstituted styrenes bearing synthetically useful functional groups and electron-poor acrylates were tolerated.