Description

4-Isocyanooxane is a specialized organic building block featuring a reactive isocyano group fused to an oxane (tetrahydropyran) ring system. This unique structure makes it a valuable intermediate for synthesizing complex heterocyclic compounds and functional materials. It is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those containing saturated oxygen heterocycles.
• Agrochemical Research: Used in creating new active ingredients for crop protection agents with potential novel modes of action.
• Ligand Synthesis: Serves as a precursor for developing specialized ligands in catalysis and metal-organic frameworks (MOFs).
• Polymer Modification: Employed to introduce functional isocyanide groups into polymer backbones for advanced material properties.
• Multicomponent Reaction (MCR) Chemistry: A valuable substrate in Passerini and Ugi-type reactions to generate diverse chemical libraries.
• Chemical Biology Probes: Used to create isonitrile-containing probes for studying biological interactions and enzyme activity.

Basic Information

Product Name	4-Isocyanooxane
CAS No.	1000699-00-2
Molecular Formula	C6H9NO
Molecular Weight	111.14 g/mol
Synonyms	4-Isocyanotetrahydropyran; Tetrahydropyran-4-yl isocyanide; 4-Isocyano-tetrahydropyran; 4-Isocyanotetrahydro-2H-pyran; Oxan-4-yl isocyanide; 4-Isocyanooxacyclohexane; 4-THP isocyanide
EINECS	Contact for details

Quality Control

Our 4-Isocyanooxane is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure high purity and consistent performance. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming identity, purity, and impurity profiles. We adhere to cGMP principles for production where applicable to support our customers' regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) at 2-8°C in a cool, dry, well-ventilated area. Keep away from strong acids, strong bases, and oxidizing agents. Due to the reactive nature of the isocyanide group, it is recommended for use shortly after opening the primary container.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Purity (GC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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