2050-07-9

Basic information

• Product Name: 4-methyl-1-phenylpentan-1-one
• Synonyms: 4-methyl-1-phenylpentan-1-one;1-Phenyl-4-methyl-1-pentanone;1-Phenyl-4-methylpentane-1-one;4-Methyl-1-phenyl-1-pentanone;Isopentyl(phenyl) ketone
• CAS NO: 2050-07-9
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.25484
• EINECS: 218-079-7
• Mol File: 2050-07-9.mol
• Article Data: 36

Chemical Properties

• Melting Point: -1°C
• Boiling Point: 255.5°C (estimate)
• Flash Point: 99.4°C
• Appearance: /
• Density: 0.9623
• Vapor Pressure: 0.0185mmHg at 25°C
• Refractive Index: 1.5330 (estimate)
• CAS DataBase Reference: 4-methyl-1-phenylpentan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-1-phenylpentan-1-one(2050-07-9)
• EPA Substance Registry System: 4-methyl-1-phenylpentan-1-one(2050-07-9)

Safety Data

• Hazardous Substances Data: 2050-07-9(Hazardous Substances Data)

Usage

Uses

4-Methyl-valerophenone is an intermediate used in the synthesis of a-Pyrrolidinoisohexanophenone (Hydrochloride) (P841230), which is a phenone derivative used for research purposes.

InChI:InChI=1/C12H16O/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Upstream product

• 63942-77-8 B-iso-butyl-9-borabicyclo<3.3.1>nonane 
• 70-11-1 α-bromoacetophenone 
• 38136-29-7 4-methylvaleroyl chloride 
• 71-43-2 benzene 
• 1116-39-8 triisobutylborane 
• 16717-64-9 1-azidostyrene 
• 78-83-1 2-methyl-propan-1-ol 
• 98-85-1 1-Phenylethanol 
• 98-86-2 acetophenone 
• 201230-82-2 carbon monoxide 
• 4548-78-1 (3-methylbutyl)magnesium bromide 
• 98-88-4 benzoyl chloride 
• 100-58-3 phenylmagnesium bromide 
• 524-38-9 N-hydroxyphthalimide 

Downstream Products

• 169602-00-0 5,6-dihydro-4-hydroxy-6-(3-methylbutyl)-6-phenyl-2H-pyran-2-one 
• 2979-69-3 3,4-dihydro-4,4-dimethyl-1(2H)-naphthalenone 
• 117861-42-4 4-hydroxy-4-methyl-1-phenyl-1-pentanone 
• 89537-70-2 (R)-(+)-5-methyl-1-phenylbutanol 
• 89537-67-7 S-(-)-1-Phenyl-4-methylpentan-1-ol 

Relevant articles and documents

KOtBu/DMSO Catalytic System for Isomerization of Allylic Alcohols to Ketones

The isomerization of allylic alcohols is an important reaction because it can afford carbonyl compounds in an atom-economical manner. Although base-catalyzed methods are more desirable than those using transition-metal catalysts from both the economic and environmental points of view, these methods have several drawbacks, such as narrow substrate scope and high catalyst loading. This paper reports the development of an efficient KOtBu/DMSO catalytic system suitable for the isomerization of a broad range of allylic alcohols with good yields, to which previously reported systems could not be applied. This catalytic system was successfully applied to a tandem allylic isomerization/electrophilic trapping reaction, thereby highlighting its synthetic utility.

Copper-Catalyzed Oxidative Fragmentation of Alkynes with NFSI Provides Aryl Ketones

A copper-catalyzed oxidative cleavage reaction of alkynes using NFSI and TBHP was described. Various terminal and internal alkyne substrates were employed to render quick access to aryl ketone products in moderate to good yields. NFSI not only functioned as N-centered radical precursors but also engaged in the aryl group migration. Mechanistic studies also suggested the important role of water in the title reactions.

Iminyl Radical-Triggered Intermolecular Distal C(sp3)-H Heteroarylation via 1,5-Hydrogen-Atom Transfer (HAT) Cascade

An efficient iron-catalyzed intermolecular remote C(sp3)-H heteroarylation of alkyl ketones has been developed via an iminyl radical-triggered 1,5-hydrogen-atom transfer (HAT) cascade. This protocol was amenable to a wide variety of alkyl ketones and heteroaryls, thus providing a straightforward method for the late-stage functionalization of alkylketones and heteroaryls.