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

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

Uses

Used in Pharmaceutical Industry:
1-N-Cbz-2-Methylpiperazine is used as a building block in organic synthesis for the preparation of various pharmaceuticals. Its versatile chemical properties and potential therapeutic effects make it an essential component in the development of new drugs.
Used in Drug Discovery and Development:
1-N-Cbz-2-Methylpiperazine is used as a valuable tool in drug discovery and development due to its ability to interact with a range of proteins. This interaction helps researchers understand the compound's potential therapeutic effects and its mechanism of action, leading to the development of more effective drugs.
Used in Anti-Inflammatory Applications:
1-N-Cbz-2-Methylpiperazine is used as an anti-inflammatory agent for its potential therapeutic properties. Its ability to modulate inflammatory pathways and reduce inflammation makes it a promising candidate for the treatment of various inflammatory conditions.
Used in Antifungal Applications:
1-N-Cbz-2-Methylpiperazine is used as an antifungal agent for its potential therapeutic properties. Its ability to inhibit fungal growth and combat infections makes it a valuable compound in the development of antifungal drugs and treatments.

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

• 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 
• 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 

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.]

PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE

If an organic solvent with a water content of 15% or less is used when an oxycarbonyl-substituted piperazine derivative is produced from a piperazine derivative, the piperazine derivative can be oxycarbonylated.