Description

tert-Butyl 4-isocyanatopiperidine-1-carboxylate is a versatile and high-purity chemical building block, specifically a protected isocyanate derivative of piperidine. This compound is of significant value in organic synthesis, particularly in pharmaceutical research and development, due to its reactive isocyanate group which facilitates the formation of ureas and carbamates. It is primarily sought after by researchers and process chemists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures, including active pharmaceutical ingredients (APIs) and advanced intermediates.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders, oncology, and inflammation.
• Peptide Mimetics & PROTACs: Used to introduce urea linkages and modify peptide backbones, creating stable peptide mimetics and bifunctional molecules like Proteolysis Targeting Chimeras (PROTACs).
• Agrochemical Synthesis: Serves as a precursor in the development of advanced herbicides, fungicides, and insecticides with novel modes of action.
• Polymer & Material Science: Employed in the synthesis of specialty polymers, polyurethanes, and coatings where the piperidine moiety imparts specific thermal or mechanical properties.
• Chemical Biology Probes: Utilized to create covalent inhibitors, activity-based probes, and affinity tags for studying enzyme function and protein-protein interactions.
• Custom Synthesis & Contract Manufacturing: A critical reagent for custom synthesis organizations (CSOs) and CDMOs producing tailored intermediates under cGMP or non-GMP conditions for client projects.

Basic Information

Item	Details
Product Name	tert-Butyl 4-Isocyanatopiperidine-1-Carboxylate
CAS No.	320581-97-3
Molecular Formula	C11H18N2O3
Molecular Weight	226.27 g/mol
Synonyms	1-Boc-4-isocyanatopiperidine; 4-Isocyanato-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester; tert-Butyl 4-Isocyanato-1-piperidinecarboxylate; 1-(tert-Butoxycarbonyl)-4-isocyanatopiperidine; N-Boc-4-isocyanatopiperidine; Boc-4-isocyanatopiperidine; 4-NCO-Piperidine-1-carboxylic Acid tert-Butyl Ester; Piperidine-1-carboxylic acid, 4-isocyanato-, 1,1-dimethylethyl ester
EINECS	Contact for details

Quality Control

Our tert-Butyl 4-isocyanatopiperidine-1-carboxylate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and Karl Fischer titration for moisture content, to ensure it meets the high standards required for research and commercial synthesis. Certificates of Analysis (COA) with detailed chromatograms and spectral data are provided for every shipment, ensuring full traceability and compliance with customer specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive (hygroscopic) and reactive isocyanate nature. Allow the container to reach ambient temperature before opening to prevent moisture condensation. Keep away from heat, open flames, and incompatible materials such as water, alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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