879896-39-6

Basic information

• Product Name: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE
• Synonyms: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE
• CAS NO: 879896-39-6
• Molecular Formula: C₁₂H₁₅N₃O
• Molecular Weight: 217.267
• Mol File: 879896-39-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 145 °C
• Flash Point: 158.6°C
• Appearance: /
• Density: 1.13g/cm³
• Vapor Pressure: 9.69E-05mmHg at 25°C
• Refractive Index: 1.587
• CAS DataBase Reference: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE(879896-39-6)
• EPA Substance Registry System: 1-(4-ISOCYANATOPHENYL)-4-METHYLPIPERAZINE(879896-39-6)

Safety Data

• Hazardous Substances Data: 879896-39-6(Hazardous Substances Data)

Usage

General Description

1-(4-Isocyanatophenyl)-4-methylpiperazine is a chemical compound that belongs to the class of isocyanates, containing a phenyl group attached to a piperazine ring. It is primarily used in the synthesis of pharmaceuticals and agrochemicals. Isocyanates are known to be highly reactive compounds and are commonly used in the production of polyurethane foams, elastomers, and coatings. They are also used in the manufacturing of certain types of adhesives and sealants. This particular compound, 1-(4-Isocyanatophenyl)-4-methylpiperazine, may have potential applications in the pharmaceutical industry due to the presence of the piperazine ring, which is a common structural motif in many drugs and bioactive molecules. However, it is important to note that isocyanates are also known to have strong irritant and sensitizing properties, and adequate precautions should be taken when handling them in a laboratory or industrial setting.

InChI:InChI=1/C12H15N3O/c1-14-6-8-15(9-7-14)12-4-2-11(3-5-12)13-10-16/h2-5H,6-9H2,1H3

Upstream product

• 16153-81-4 4-(4-Methyl-piperazino)-anilin 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1392151-78-8 1-(1-tert-butyl-5-(3,5-difluorophenylthio)-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea 
• 1392151-77-7 1-(5-((3,5-difluorophenyl)thio)-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea 
• 1601403-19-3 N-(4-(4-methylpiperazin-1-yl)phenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide 
• 1416442-18-6 N-(5'-deoxy-α-thymidin-5'-yl)-N'-(4-(4-methylpiperazinyl)phenyl)urea 
• 1416442-46-0 N-(5'-deoxy-thymidin-5'-yl)-N'-(4-(4-methylpiperazinyl)phenyl)urea 
• 1312558-73-8 1-[4-(4-methyl-piperazin-1-yl)-phenyl]-3-(4-oxazol-5-yl-phenyl)-urea 
• 1310550-02-7 C₂₁H₂₂FN₅O 

Relevant articles and documents

1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors

A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site.