1671-77-8

Basic information

• Product Name: 4'-Methylvalerophenone
• Synonyms: 1-(4-Methylphenyl)-1-pentanone;4-Methyl-1-pentanoylbenzene;4'-Methylvalerophenone;1-(4-methylphenyl)pentan-1-one;1-(4-Methylphenyl)pentane-1-one;4'-Methylvaleropheno;4-Methyl benzene pentanone
• CAS NO: 1671-77-8
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.25
• EINECS: 216-804-1
• Mol File: 1671-77-8.mol
• Article Data: 24

Chemical Properties

• Melting Point: 17 °C
• Boiling Point: 266.669 °C at 760 mmHg
• Flash Point: 121.769 °C
• Appearance: /
• Density: 0.944 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform; Dichloromethane; Methanol
• CAS DataBase Reference: 4'-Methylvalerophenone(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-Methylvalerophenone(1671-77-8)
• EPA Substance Registry System: 4'-Methylvalerophenone(1671-77-8)

Safety Data

• Hazardous Substances Data: 1671-77-8(Hazardous Substances Data)

Usage

Description

4'-Methylvalerophenone is a derivative of Valerophenone, an aromatic ketone that is commonly utilized in the study of various photochemical processes. It is characterized by its unique chemical structure, which includes a methyl group attached to the 4' position of the valerophenone molecule. This modification can potentially alter the compound's properties and applications compared to its parent compound, Valerophenone.

Uses

Used in Pharmaceutical Industry:
4'-Methylvalerophenone is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to serve as a building block for the development of new drugs with potentially improved properties, such as enhanced efficacy, selectivity, or reduced side effects.
Used in Chemical Research:
4'-Methylvalerophenone is used as a research tool in the study of photochemical processes and the behavior of aromatic ketones under different conditions. Its unique structure can provide valuable insights into the reactivity and stability of similar compounds, contributing to the advancement of chemical knowledge and the development of new synthetic strategies.
Used in Enzyme Inhibition Studies:
As a derivative of Valerophenone, which is known to be an inhibitor of the enzyme carbonyl reductase, 4'-Methylvalerophenone may also be used in enzyme inhibition studies. Its potential to modulate enzyme activity can be explored for the development of new therapeutic agents targeting specific metabolic pathways or diseases.

Upstream product

• 3115-66-0 tetra-n-butylphosphonium iodide 
• 104-85-8 para-methylbenzonitrile 
• 109-72-8 n-butyllithium 
• 61750-20-7 morpholino(p-tolyl)methanethione 
• 109-65-9 1-bromo-butane 
• 64874-44-8 p-tolyl(phenylthio)sulfine 
• 91763-35-8 1-(p-methylphenyl)-1-pentanol 
• 874-60-2 4-methyl-benzoyl chloride 
• 71-23-8 propan-1-ol 
• 122-00-9 para-methylacetophenone 
• 120-92-3 cyclopentanone 
• 4463-41-6 2-(p-tolyl)-1,3,2-dioxaborinane 
• 5720-05-8 4-methylphenylboronic acid 
• 195062-57-8 p-tolylboronic pinacol ester 

Downstream Products

• 81392-97-4 (E)-1-methyl-4-(pent-1-en-1-yl)benzene 
• 360-34-9 1,1,1-trifluoro-2-hexanone 
• 94-08-6 4-methylbenzoic acid ethyl ester 
• 1359715-95-9 1-n-butyl-3,4-diphenylisoquinoline 
• 72552-12-6 N,N-Dimethyl-N'-[1-phenyl-pent-(E)-ylidene]-hydrazine 
• 180071-98-1 1-(p-tolyl)-1-hexyne 

Relevant articles and documents

Rhodium-Catalyzed Deoxygenation and Borylation of Ketones: A Combined Experimental and Theoretical Investigation

The rhodium-catalyzed deoxygenation and borylation of ketones with B2pin2 have been developed, leading to efficient formation of alkenes, vinylboronates, and vinyldiboronates. These reactions feature mild reaction conditions, a broad substrate scope, and excellent functional-group compatibility. Mechanistic studies support that the ketones initially undergo a Rh-catalyzed deoxygenation to give alkenes via boron enolate intermediates, and the subsequent Rh-catalyzed dehydrogenative borylation of alkenes leads to the formation of vinylboronates and diboration products, which is also supported by density functional theory calculations.

Suzuki-Miyaura coupling of simple ketones via activation of unstrained carbon-carbon bonds

Here, we describe that simple ketones can be efficiently employed as electrophiles in Suzuki-Miyaura coupling reactions via catalytic activation of unstrained C-C bonds. A range of common ketones, such as cyclopentanones, acetophenones, acetone and 1-indanones, could be directly coupled with various arylboronates in high site-selectivity, which offers a distinct entry to more functionalized aromatic ketones. Preliminary mechanistic study suggests that the ketone α-C-C bond was cleaved via oxidative addition.

P -Selective (sp2)-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis

p-Selective (sp2)-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.