Description

3-Isocyanato-1-(Trifluoroacetyl)Piperidine is a specialized heterocyclic building block featuring both an isocyanate and a trifluoroacetyl functional group. This unique bifunctional structure makes it a critical intermediate for synthesizing advanced pharmaceutical compounds and agrochemicals, enabling the introduction of both reactive and fluorinated motifs. It is primarily utilized by R&D chemists and process development scientists in the fine chemical and pharmaceutical industries for creating novel active ingredients and complex molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in central nervous system (CNS) and metabolic disease research.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides, where the fluorine atoms can enhance biological activity and environmental stability.
• Peptide Mimetics & Protease Inhibitors: Serves as a scaffold for creating peptidomimetic compounds and enzyme inhibitors due to its piperidine core and reactive handles.
• Material Science Research: Employed in the development of specialty polymers and coatings, where the isocyanate group enables cross-linking and polymerization.
• Chemical Biology Probes: Useful for labeling and modifying biomolecules to study biological pathways and protein function.
• Fluorinated Compound Libraries: A valuable reagent for medicinal chemistry programs focused on generating diverse fluorinated compound libraries to explore structure-activity relationships (SAR).

Basic Information

Product Name	3-Isocyanato-1-(Trifluoroacetyl)Piperidine
CAS No.	80591-41-9
Molecular Formula	C8H9F3N2O2
Molecular Weight	222.17 g/mol
Synonyms	1-(Trifluoroacetyl)-3-piperidyl isocyanate; 3-Isocyanato-1-(2,2,2-trifluoroacetyl)piperidine; 1-(2,2,2-Trifluoroacetyl)-3-piperidine isocyanate; 3-Isocyanato-1-(trifluoroacetyl)piperidine; N-(3-Isocyanatopiperidin-1-yl)-2,2,2-trifluoroacetamide; Piperidine, 3-isocyanato-1-(trifluoroacetyl)-
EINECS	Contact for details

Quality Control

Our 3-Isocyanato-1-(Trifluoroacetyl)Piperidine is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation by NMR and IR spectroscopy, to ensure it meets the high standards required for research and development. Certificates of Analysis (COA) with full batch traceability are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.