879896-41-0

Basic information

• Product Name: 1-(4-ISOCYANATOPHENYL)PIPERIDINE
• Synonyms: 1-(4-ISOCYANATOPHENYL)PIPERIDINE;1-(4-Isocyanatophenyl)piperidine 97%;4-(Piperidin-1-yl)phenyl isocyanate 97%;4-(Piperidin-1-yl)phenyl isocyanate, 1-Isocyanato-4-(piperidin-1-yl)benzene
• CAS NO: 879896-41-0
• Molecular Formula: C₁₂H₁₄N₂O
• Molecular Weight: 202.25
• Mol File: 879896-41-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 330.588°C at 760 mmHg
• Flash Point: 153.734°C
• Appearance: /
• Density: 1.114g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.582
• Sensitive: Moisture Sensitive/Lachrymatory
• CAS DataBase Reference: 1-(4-ISOCYANATOPHENYL)PIPERIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-ISOCYANATOPHENYL)PIPERIDINE(879896-41-0)
• EPA Substance Registry System: 1-(4-ISOCYANATOPHENYL)PIPERIDINE(879896-41-0)

Safety Data

• Hazard Codes: C,T
• Statements: 20/21/22-42
• Safety Statements: 22-26-36/37/39
• RIDADR: 2206
• Hazardous Substances Data: 879896-41-0(Hazardous Substances Data)

Usage

Description

1-(4-Isocyanatophenyl)piperidine is a chemical compound belonging to the class of isocyanates, which are highly reactive and commonly used in the synthesis of various polymers and other chemical products. This specific compound is a derivative of piperidine with an isocyanatophenyl group attached to the piperidine ring. Known for their strong and pungent odor, isocyanates are considered hazardous substances due to their potential to cause respiratory irritation and sensitization. It may be used in the production of polyurethane-based materials or as a precursor in the synthesis of other organic compounds. Proper safety precautions and adherence to handling guidelines are essential to prevent exposure and potential health hazards.

Uses

Used in Polymer Synthesis:
1-(4-Isocyanatophenyl)piperidine is used as a monomer in the polymer industry for the production of polyurethane-based materials. Its isocyanate group allows for the formation of urethane links, which are crucial in creating polyurethane polymers with diverse applications.
Used in Chemical Synthesis:
In the chemical industry, 1-(4-Isocyanatophenyl)piperidine is used as a precursor in the synthesis of other organic compounds. Its reactive isocyanate group facilitates the creation of various chemical products, contributing to the development of new materials and substances with specific properties and applications.

InChI:InChI=1/C12H14N2O/c15-10-13-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2

Upstream product

• 350-46-9 4-Fluoronitrobenzene 
• 6574-15-8 1-(4-nitrophenyl)piperidine 
• 110-89-4 piperidine 
• 2359-60-6 4-(1-piperidino)aniline 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1601403-21-7 3-oxo-N-(4-(piperidin-1-yl)phenyl)benzo[d]isothiazole-2(3H)-carboxamide 
• 1416442-15-3 N-(5'-deoxy-α-thymidin-5'-yl)-N'-(4-piperidin-1-ylphenyl)urea 
• 1416442-44-8 N-(5'-deoxy-thymidin-5'-yl)-N'-(4-piperdin-1-ylphenyl)urea 
• 1226878-71-2 (4-piperidinylphenyl)-1-carbamic acid 3,3-diethyl-4,5-dihydro-2-oxo-(3H)furan-5-ylmethyl ester 
• 1310550-01-6 C₂₁H₂₁FN₄O 

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.