Description

3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl Isocyanate is a specialized aromatic isocyanate building block of significant interest in advanced organic synthesis. Its unique fused benzodioxepin structure makes it a valuable precursor for creating novel heterocyclic compounds with tailored properties. This high-purity intermediate is primarily sought by research and development teams in the pharmaceutical and agrochemical sectors for the synthesis of active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides with unique modes of action.
• Polymer Chemistry: Serves as a monomer or cross-linking agent for producing specialty polyurethanes and polyurea coatings with enhanced chemical resistance.
• Material Science Research: Employed in the development of advanced functional materials, including liquid crystals and organic semiconductors.
• Chemical Biology: Useful as a derivatization agent or linker for probing biological systems and creating bioconjugates.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects requiring complex, fused-ring heterocyclic architectures.

Basic Information

Product Name	3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl Isocyanate
CAS No.	368869-87-8
Molecular Formula	C10H9NO3
Molecular Weight	191.18 g/mol
Synonyms	7-Isocyanato-3,4-dihydro-2H-1,5-benzodioxepin; 2H-1,5-Benzodioxepin-7-yl isocyanate, 3,4-dihydro-; 3,4-Dihydro-2H-1,5-benzodioxepine-7-isocyanate; 1,5-Benzodioxepin-7-yl isocyanate, 3,4-dihydro-2H-; Benzodioxepin isocyanate derivative
EINECS	Contact for details

Quality Control

Our 3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl Isocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistent performance. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic and 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, open flames, and incompatible materials such as alcohols, amines, and water.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Melting Point	Contact for details

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