134221-17-3

Basic information

• Product Name: 1-[3-nitro-4-(pentyloxy)phenyl]ethanone
• CAS NO: 134221-17-3
• Molecular Formula: C₁₃H₁₇NO₄
• Molecular Weight: 251.2784
• Mol File: 134221-17-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 369°C at 760 mmHg
• Flash Point: 150.4°C
• Density: 1.127g/cm³
• Vapor Pressure: 1.23E-05mmHg at 25°C
• Refractive Index: 1.522
• CAS DataBase Reference: 1-[3-nitro-4-(pentyloxy)phenyl]ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[3-nitro-4-(pentyloxy)phenyl]ethanone(134221-17-3)
• EPA Substance Registry System: 1-[3-nitro-4-(pentyloxy)phenyl]ethanone(134221-17-3)

Safety Data

• Hazardous Substances Data: 134221-17-3(Hazardous Substances Data)

Usage

Type of compound

Aromatic ketone

Functional groups

Nitro group and pentyloxy group

Structure

Contains a phenyl ring with the nitro group at the 3rd position and the pentyloxy group at the 4th position

Usage

Building block in organic synthesis

Applications

Manufacturing of pharmaceuticals and agrochemicals

Biological activities

Studied for potential properties

Safety

Handle with caution due to potential hazards

Upstream product

• 5467-56-1 4-pentyloxyacetophenone 

Downstream Products

• 134221-21-9 N,N'-Bis-[1-(1-benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-hydrazine 
• 134221-18-4 N-[1-(1-Benzyl-1H-imidazol-2-yl)-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine 
• 134221-20-8 N,N'-Bis-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine 
• 134221-19-5 N-[1-[1-(4-Methoxy-3-nitro-benzyl)-1H-imidazol-2-yl]-meth-(E)-ylidene]-N'-[1-(3-nitro-4-pentyloxy-phenyl)-eth-(E)-ylidene]-hydrazine 

Relevant articles and documents

Dichloroacetophenones targeting at pyruvate dehydrogenase kinase 1 with improved selectivity and antiproliferative activity: Synthesis and structure-activity relationships

Dichloroacetophenone is a pyruvate dehydrogenase kinase 1 (PDK1) inhibitor with suboptimal kinase selectivity. Herein, we report the synthesis and biological evaluation of a series of novel dichloroacetophenones. Structure-activity relationship analyses (SARs) enabled us to identify three potent compounds, namely 54, 55, and 64, which inhibited PDK1 function, activated pyruvate dehydrogenase complex, and reduced the proliferation of NCI-H1975 cells. Mitochondrial bioenergetics assay suggested that 54, 55, and 64 enhanced the oxidative phosphorylation in cancer cells, which might contribute to the observed anti-proliferation effects. Collectively, these results suggested that 54, 55, and 64 could be promising compounds for the development of potent PDK1 inhibitors.