198281-54-8

Basic information

• Product Name: 1-METHYL-4-(3-NITROBENZYL)PIPERAZINE
• Synonyms: 1-METHYL-4-(3-NITROBENZYL)PIPERAZINE;1-Methyl-4-(3-nitrobenzyl)piperazine 97%;Piperazine, 1-methyl-4-[(3-nitrophenyl)methyl]-;1-(3-NITROBENZYL)-4-METHYLPIPERAZINE;1-methyl-4-[(3-nitrophenyl)methyl]piperazine
• CAS NO: 198281-54-8
• Molecular Formula: C₁₂H₁₇N₃O₂
• Molecular Weight: 235.28
• Mol File: 198281-54-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 49 °C
• Boiling Point: 355.8°C at 760 mmHg
• Flash Point: 169°C
• Appearance: /
• Density: 1.184g/cm³
• Vapor Pressure: 3.05E-05mmHg at 25°C
• Refractive Index: 1.578
• PKA: 7.53±0.10(Predicted)
• CAS DataBase Reference: 1-METHYL-4-(3-NITROBENZYL)PIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-4-(3-NITROBENZYL)PIPERAZINE(198281-54-8)
• EPA Substance Registry System: 1-METHYL-4-(3-NITROBENZYL)PIPERAZINE(198281-54-8)

Safety Data

• Hazardous Substances Data: 198281-54-8(Hazardous Substances Data)

Usage

General Description

1-Methyl-4-(3-nitrobenzyl)piperazine is a chemical compound that consists of a piperazine ring with a methyl group and a 3-nitrobenzyl group attached to it. It is a derivative of piperazine and is used in pharmaceutical research as a building block for the synthesis of various biologically active compounds. The presence of the nitrobenzyl group makes this compound potentially useful in drug discovery, as nitro groups are often used as pharmacophores to modulate bioactivity. Additionally, the piperazine moiety in the compound suggests potential activity as a neurotransmitter or drug targeting the central nervous system. Overall, 1-Methyl-4-(3-nitrobenzyl)piperazine is a versatile chemical compound with potential applications in medicinal chemistry and pharmaceutical development.

InChI:InChI=1/C12H17N3O2/c1-13-5-7-14(8-6-13)10-11-3-2-4-12(9-11)15(16)17/h2-4,9H,5-8,10H2,1H3

Upstream product

• 109-01-3 1-methyl-piperazine 
• 99-61-6 3-nitro-benzaldehyde 
• 3958-57-4 1-bromomethyl-3-nitrobenzene 
• 619-23-8 3-Nitrobenzyl chloride 

Downstream Products

• 198281-55-9 3-(4-methyl-piperazin-1-ylmethyl)-phenylamine 
• 1350443-59-2 4-(4-methylpiperazin-1-ylmethyl)-N-[3-(4-methylpiperazin-1-ylmethyl)phenyl]benzamide 
• 943189-22-8 N-methyl-N'-[3-(4-methylpiperazin-1-ylmethyl)phenyl]pyrimidine-4,6-diamine 

Relevant articles and documents

Methylpyrazole derivatives as RET inhibitor

The invention relates to a methylpyrazole derivative as an RET inhibitor, in particular to a compound as shown in a formula (I), a stereoisomer and pharmaceutically acceptable salt thereof, a preparation method and a pharmaceutical composition thereof. The compound of the formula (I) can be used for preventing or treating diseases mediated by abnormal RET activity.

Preparative synthesis of heterocyclic and aromatic N-benzyl amines

A simple and highly efficient procedure has been proposed for the synthesis of heterocyclic and aromatic N-benzyl amines via reductive amination of substituted aromatic aldehydes in the presence of sodium tetrahydridoborate- acetic acid system generating reactive sodium triacetoxyhydridoborate.

Synthesis of new amides of the N-methylpiperazine series

New carboxylic acid amides containing an N-methylpiperazine fragment were synthesized by reactions of 1-methylpiperazine or 3- and 4-(4-methylpiperazin-1- ylmethyl)aniline with 4-chlorobenzoyl chloride and of 4-methyl-3-nitroaniline with 4-(4-methylpiperazin-1-ylmethyl)benzoyl chloride or benzotriazol-1-yl 4-(4-methylpiperazin-1-ylmethyl)benzoate. 4-Chloro-N-[4-(4-methylpiperazin-1- ylmethyl)phenyl]benzamide reacted with imidazole, quinolin-5-amine, and 2-methylquinolin-5-amine to give substituted 4-amino-N-[4-(4- methylpiperazin-1-ylmethyl)phenyl]benzamides. 4-Methyl-3-nitrophenyl-4- methylpiperazin-1-yl-substituted benzamides were reduced with hydrazine hydrate over Raney nickel to obtain N-(3-amino-4-methylphenyl)-4- (4-methylpiperazin-1- ylmethyl)benzamide as key intermediate in the synthesis of antileukemic agent imatinib and its isomer with alternative position of the amide group, 4-[(3-amino-4-methylphenylamino)methyl]phenyl- (4-methylpiperazin-1-yl)} methanone. Pleiades Publishing, Ltd., 2011.