125743-63-7

Basic information

• Product Name: 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE
• Synonyms: 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE;4-[(4-Methylpiperazin-1-yl)methyl]benzonitrile 97%;1-(4-Cyanobenzyl)-4-methylpiperazine;4-[(4-Methyl-1-piperazinyl)methyl]benzonitrile;4-[(4-Methylpiperazin-1-yl)methyl]benzonitrile97%;4-(4-Methyl-piperazin-1-ylmethyl)-benzonitrile（WS200490）;Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-
• CAS NO: 125743-63-7
• Molecular Formula: C₁₃H₁₇N₃
• Molecular Weight: 215.29
• Product Categories: Aromatics
• Mol File: 125743-63-7.mol
• Article Data: 22

Chemical Properties

• Melting Point: 69 °C
• Boiling Point: 342.5 °C at 760 mmHg
• Flash Point: 144.5 °C
• Appearance: White solid
• Density: 1.11
• Vapor Pressure: 7.48E-05mmHg at 25°C
• Refractive Index: 1.587
• PKA: 7.55±0.10(Predicted)
• CAS DataBase Reference: 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE(125743-63-7)
• EPA Substance Registry System: 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE(125743-63-7)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 23-26-36/37/39-45
• Hazardous Substances Data: 125743-63-7(Hazardous Substances Data)

Usage

Description

4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE, also known as 4-(4-Methylpiperazinomethyl)benzonitrile (CAS# 125743-63-7), is an off-white solid compound with significant utility in the field of organic synthesis. Its unique chemical structure allows for a wide range of applications across different industries.

Uses

Used in Organic Synthesis:
4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE is used as a synthetic building block for the creation of various organic compounds. Its versatile chemical properties make it a valuable component in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE is used as an intermediate in the development of new drugs. Its unique structure can be modified to create novel molecules with potential therapeutic applications.
Used in Agrochemical Industry:
4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE is also utilized in the agrochemical industry as a key component in the synthesis of pesticides and other crop protection agents. Its incorporation into these products can enhance their effectiveness and selectivity.
Used in Chemical Research:
In the field of chemical research, 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE serves as a valuable compound for studying various reaction mechanisms and exploring new synthetic pathways. Its off-white solid form makes it suitable for a wide range of experimental techniques and analyses.
Overall, 4-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZONITRILE is a versatile and essential compound in the realms of organic synthesis, pharmaceutical development, agrochemical production, and chemical research, thanks to its unique chemical properties and diverse applications.

InChI:InChI=1/C13H17N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-9,11H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 874-86-2 4-cyanobenzyl chloride 
• 105-07-7 4-cyanobenzaldehyde 
• 623-00-7 4-bromobenzenecarbonitrile 
• 73992-96-8 trimethyl<(4-methyl-1-piperazinyl)methyl>silane 
• 368879-17-8 4-[(4-methylpiperazin-1-yl)methyl]bromobenzene 
• 7321-55-3 2,2-dimethylmalononitrile 
• 104-85-8 para-methylbenzonitrile 
• 1015484-22-6 1-methyl-4-((trifluoro-λ⁴-boranyl)methyl)piperazine potassium 
• 69293-74-9 p-(diethylaminomethyl)benzonitrile 
• 17201-43-3 4-cyanobenzyl bromide 

Downstream Products

• 152459-95-5 imatinib 
• 515162-20-6 (4-((4-methylpiperazin-1-yl)methyl)phenyl)methanamine 
• 1123622-49-0 tert-butyl-(E)-3-(3-{(E)-3-[4-(4-methyl-piperazin-1-yl-methyl)-phenyl]-3-oxo-propenyl}-phenyl)-acrylate 
• 839677-18-8 4-((4-methylpiperazin-1-yl)methyl)benzamide 
• 439691-80-2 4-((4-methylpiperazin-1-yl)methyl)benzaldehyde 
• 125743-60-4 (E)-2-<<1-<4-(4-Methylpiperazin-1-ylmethyl)phenyl>ethylidene>amino>benzonitrile 
• 125743-61-5 2-(4-<4-Methylpiperazin-1-ylmethyl>phenyl)quinolin-4-amine 
• 125743-59-1 1-<4-(4-methylpiperazin-1-ylmethyl)phenyl>ethanone 

Relevant articles and documents

A novel synthesis of imatinib and its intermediates

A convenient method has been developed for the synthesis of imatinib and two of its intermediates. N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidin amine, obtained from 2-(methylsulfonyl)-4-(3-pyridyl)pyrimidine via nucleophilic substitution, was reduced by N2H4H2O/FeCl 3·6H2O/C in 92% yield. The resulting amine was condensed with 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride, which was prepared from 4-(chloromethyl)benzonitrile via substitution and hydrolysis reactions, to provide the final product imatinib in good yield and high purity. Springer-Verlag 2010.

Accessing Aliphatic Amines in C-C Cross-Couplings by Visible Light/Nickel Dual Catalysis

A general aminoalkylation of aryl halides was developed, overcoming intolerance of free amines in nickel-mediated C-C coupling. This transformation features broad functional group tolerance and high efficiency. Taking advantage of the fast desilylation of α-silylamines upon single-electron transfer (SET) facilitated by carbonate, α-amino radicals are generated regioselectively, which then engage in nickel-mediated C-C coupling. The reaction displays high chemoselectivity for C-C over C-N bond formation. Highly functionalized pharmacophores and peptides are also amenable.

Development of inhibitors against mycobacterium abscessus tRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches

Mycobacterium abscessus (Mab) is a rapidly growing species of multidrug-resistant nontuberculous mycobacteria that has emerged as a growing threat to individuals with cystic fibrosis and other pre-existing chronic lung diseases. Mab pulmonary infections are difficult, or sometimes impossible, to treat and result in accelerated lung function decline and premature death. There is therefore an urgent need to develop novel antibiotics with improved efficacy. tRNA (m1G37) methyltransferase (TrmD) is a promising target for novel antibiotics. It is essential in Mab and other mycobacteria, improving reading frame maintenance on the ribosome to prevent frameshift errors. In this work, a fragment-based approach was employed with the merging of two fragments bound to the active site, followed by structure-guided elaboration to design potent nanomolar inhibitors against Mab TrmD. Several of these compounds exhibit promising activity against mycobacterial species, including Mycobacterium tuberculosis and Mycobacterium leprae in addition to Mab, supporting the use of TrmD as a target for the development of antimycobacterial compounds.

Cyano-pyrrolo-heteroaryl derivative, preparation method thereof and application of derivative to medicine

The invention relates to a cyano-pyrrolo-heteroaryl derivative, a preparation method thereof and an application of the derivative to medicine, and particularly relates to a novel cyano-pyrrolo-heteroaryl derivative as shown in a general formula (I), a pre