270257-39-1

Basic information

• Product Name: (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate
• Synonyms: (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate;p-Toluenesulfonic acid (1-benzyl-4-cyano-4-piperidyl)methyl ester;(1-benzyl-4-cyanopiperidin-4-yl)Methyl 4-Methylbenzene-1-sulfonate
• CAS NO: 270257-39-1
• Molecular Formula: C₂₁H₂₄N₂O₃S
• Molecular Weight: 384.498
• Mol File: 270257-39-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 552.3°C at 760 mmHg
• Flash Point: 287.8°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 3.03E-12mmHg at 25°C
• Refractive Index: 1.61
• Storage Temp.: 2-8°C
• PKA: 6.19±0.10(Predicted)
• CAS DataBase Reference: (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate(270257-39-1)
• EPA Substance Registry System: (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate(270257-39-1)

Safety Data

• Hazardous Substances Data: 270257-39-1(Hazardous Substances Data)

Usage

Description

(1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate is a complex organic chemical compound characterized by the presence of a benzyl group, a cyanopiperidine ring, a methyl group, and a benzenesulfonate moiety. Its intricate molecular structure suggests potential for interactions with biological targets, which may be harnessed in medicinal chemistry and drug development.

Uses

Used in Medicinal Chemistry:
(1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate is used as a potential candidate in medicinal chemistry for its structural features that may allow it to interact with specific biological targets, contributing to the development of new therapeutic agents.
Used in Drug Development:
In the field of drug development, (1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate is utilized as a compound of interest for further research and experimentation. Its unique structure may offer novel mechanisms of action or selectivity in targeting disease-related pathways.

InChI:InChI=1/C21H24N2O3S/c1-18-7-9-20(10-8-18)27(24,25)26-17-21(16-22)11-13-23(14-12-21)15-19-5-3-2-4-6-19/h2-10H,11-15,17H2,1H3

Upstream product

• 162686-53-5 C₁₄H₁₈N₂O 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 135380-52-8 7-benzyl-2,7-diazaspiro[3.5]nonane 

Relevant articles and documents

NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES

The invention provides compounds of general formula (I) wherein A, B, p, w, x, y, and z are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.