Description

Isoxazole, 5-Cyclopropyl-3-Isocyanato- (9Ci) is a specialized heterocyclic building block containing both an isoxazole ring and a reactive isocyanate functional group. This compound matters as a versatile intermediate for synthesizing novel compounds with potential biological activity, particularly in pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and crop protection industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders or infectious diseases.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or insecticides with novel modes of action.
• Chemical Biology Probe Development: Serves as a precursor for creating activity-based probes to study enzyme function and biological pathways.
• Polymer & Material Science: Acts as a monomer or cross-linking agent for producing specialty polymers with unique thermal or mechanical properties.
• Ligand Synthesis for Catalysis: Employed in the preparation of novel ligands for transition metal catalysts used in asymmetric synthesis.
• Academic & Contract Research: Essential for exploratory chemistry in academic institutions and contract research organizations (CROs) focused on medicinal chemistry.

Basic Information

Product Name	Isoxazole, 5-Cyclopropyl-3-Isocyanato- (9Ci)
CAS No.	55809-59-1
Molecular Formula	C7H6N2O2
Molecular Weight	150.14 g/mol
Synonyms	5-Cyclopropyl-3-isocyanatoisoxazole; 3-Isocyanato-5-cyclopropylisoxazole; 5-Cyclopropylisoxazol-3-yl isocyanate; Isocyanic acid 5-cyclopropyl-3-isoxazolyl ester; 55809-59-1; 5-Cyclopropyl-1,2-oxazol-3-yl isocyanate
EINECS	Contact for details

Quality Control

Our Isoxazole, 5-Cyclopropyl-3-Isocyanato- (9Ci) 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 applications. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, containers 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 or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 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.