204078-35-3

Basic information

• Product Name: 3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE
• Synonyms: 3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE;3-(4-Methylpiperazine-1-yl)benzonitrile
• CAS NO: 204078-35-3
• Molecular Formula: C₁₂H₁₅N₃
• Molecular Weight: 201.27
• Product Categories: Boron, Nitrile, Thio,& TM-Cpds
• Mol File: 204078-35-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 340.2 °C at 760 mmHg
• Flash Point: 146.8 °C
• Appearance: /
• Density: 1.14 g/cm³
• Vapor Pressure: 8.76E-05mmHg at 25°C
• Refractive Index: 1.598
• CAS DataBase Reference: 3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE(204078-35-3)
• EPA Substance Registry System: 3-(4-METHYLPIPERAZIN-1-YL)BENZONITRILE(204078-35-3)

Safety Data

• Hazardous Substances Data: 204078-35-3(Hazardous Substances Data)

Usage

General Description

3-(4-Methylpiperazin-1-yl)benzonitrile is a chemical compound with the molecular formula C13H16N4. It is a white solid and is commonly used as a building block in the synthesis of pharmaceuticals and other organic compounds. This chemical contains a benzene ring with a nitrile group and a methylpiperazine side chain, making it useful for the development of various drugs and biologically active molecules. Its properties and reactivity allow for versatile applications in the field of medicinal chemistry and drug discovery, making it an important intermediate in the production of pharmaceuticals and related compounds.

InChI:InChI=1/C12H15N3/c1-14-5-7-15(8-6-14)12-4-2-3-11(9-12)10-13/h2-4,9H,5-8H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 403-54-3 m-Fluorobenzonitrile 

Downstream Products

• 672325-37-0 (3-(4-methylpiperazin-1-yl)phenyl)methanamine 

Relevant articles and documents

Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them

The present invention is directed to compounds of the formula or pharmaceutically acceptable salts, prodrug, solvate or optical isomer thereof, pharmaceutical compositions containing same and use thereof for treating diseases linked to disregulated cell p

Synthesis and evaluation of cyclic secondary amine substituted phenyl and benzyl nitrofuranyl amides as novel antituberculosis agents

In an ongoing effort to develop new and potent antituberculosis agents, a second-generation series of nitrofuranyl amides was synthesized on the basis of the lead compound 5-nitrofuran-2-carboxylic acid 3,4-dimethoxybenzylamide. The primary design consideration was to improve the solubility and consequently the bioavailability of the series by the addition of hydrophilic rings to the benzyl and phenyl B ring core. The synthesis of 27 cyclic, secondary amine substituted phenyl and benzyl nitrofuranyl amides is described and their activity against Mycobacterium tuberculosis reported. The series showed a strong structure-activity relationship as the benzyl nitrofuranyl amides were significantly more active than similarly substituted phenyl nitrofuranyl amides. Para-substituted benzyl piperazines showed the most antituberculosis activity. Compounds in the series were subsequently selected for bioavailability and in vivo testing. This study led to the successful discovery of novel compounds with increased antituberculosis activity in vitro and a better understanding of the requisite pharmacological properties to advance this class.

Heterocyclic amides with anti-tuberculosis activity

Compounds having the general structure: wherein A is selected from the group consisting of oxygen, sulfur, and NR15, and R15 is selected from the group consisting of H, alkyl, aryl, substituted alkyl, and substituted aryl; B,D, and E are each independently selected from the group consisting of CH, nitrogen, sulfur and oxygen; R1 is selected from the group consisting of nitro, halo, alkyl ester, arylsulfanyl, arylsulfinyl, arylsulfonyl and sulfonic acid; t is an integer from 1 to 3; and X is a substituted amide, and methods of using the novel compounds for treating infections caused by microorganisms, including Mycobacterium tuberculosis.