444666-46-0

Basic information

• Product Name: 1-N-Cbz-2-Methylpiperazine
• Synonyms: 1-CBZ-2-METHYLPIPERAZINE;1-N-CBZ-2-METHYL PIPERAZINE;2-METHYL-PIPERAZINE-1-CARBOXYLIC ACID BENZYL ESTER;N-1-CBZ-2-METHYL-PIPERAZINE;1-N-Cbz-2-Methylpiperazine N-1-Cbz-2-Methylpiperazine;2-Methyl-1-piperazinecarboxylic acid phenylmethyl ester;1-Piperazinecarboxylic acid, 2-methyl-, phenylmethyl ester
• CAS NO: 444666-46-0
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.29
• Mol File: 444666-46-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 358.024 °C at 760 mmHg
• Flash Point: 170.327 °C
• Appearance: /
• Density: 1.105
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.531
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 8.48±0.40(Predicted)
• CAS DataBase Reference: 1-N-Cbz-2-Methylpiperazine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-Cbz-2-Methylpiperazine(444666-46-0)
• EPA Substance Registry System: 1-N-Cbz-2-Methylpiperazine(444666-46-0)

Safety Data

• Hazardous Substances Data: 444666-46-0(Hazardous Substances Data)

Usage

General Description

1-N-Cbz-2-Methylpiperazine is a chemical compound that belongs to the piperazine class of organic compounds. It is also known by its systematic name N-Carbobenzyloxy-2-methylpiperazine. 1-N-Cbz-2-Methylpiperazine is commonly used as a building block in organic synthesis, particularly in the preparation of various pharmaceuticals. It has been found to exhibit potential therapeutic properties, such as anti-inflammatory and antifungal activities. Additionally, it is known to interact with a range of proteins, which makes it a valuable tool in drug discovery and development. Overall, 1-N-Cbz-2-Methylpiperazine is a versatile and important compound with applications in both research and pharmaceutical industries.

InChI:InChI=1/C13H18N2O2/c1-11-9-14-7-8-15(11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3

Upstream product

• 109-07-9 (RS)-2-methylpiperazine 
• 501-53-1 benzyl chloroformate 

Downstream Products

• 444665-89-8 benzyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3-(4-methoxybenzyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]sulfonyl}-2-methylpiperazine-1-carboxylate 
• 444664-71-5 benzyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-2-methylpiperazine-1-carboxylate 

Relevant articles and documents

Design, synthesis and SAR of antitubercular benzylpiperazine ureas

Abstract: N-furfuryl piperazine ureas disclosed by scientists at GSK Tres Cantos were chosen as antimycobacterial hits from a phenotypic whole-cell screen. Bioisosteric replacement of the furan ring in the GSK Tres Cantos molecules with a phenyl ring led to molecule (I) with an MIC of 1?μM against Mtb H37Rv, low cellular toxicity (HepG2 IC50 ~ 80?μM), good DMPK properties and specificity for Mtb. With the aim of delineating the SAR associated with (I), fifty-five analogs were synthesized and screened against Mtb. The SAR suggests that the piperazine ring, benzyl urea and piperonyl moieties are essential signatures of this series. Active compounds in this series are metabolically stable, have low cellular toxicity and are valuable leads for optimization. Molecular docking suggests these molecules occupy the Q0 site of QcrB like Q203. Graphic Abstract: Bioisosteric replacement of N-furfuryl piperazine-1-carboxamides yielded molecule (I) a novel lead with satisfactory PD, metabolism, and toxicity profiles.[Figure not available: see fulltext.]