Description

Isoxazole, 3-Cyclopropyl-5-Isocyanato- (9Ci) is a specialized heterocyclic building block featuring a reactive isocyanate functional group. This compound is valued for its role as a key intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought by R&D chemists and process development scientists working on novel active ingredients. The reactive nature of the isocyanate group makes it a versatile precursor for constructing urea and carbamate linkages under controlled conditions.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the research and development of new drug candidates, particularly those targeting central nervous system (CNS) disorders and infectious diseases.
• Agrochemical Synthesis: Used in the creation of novel herbicides and fungicides, where the isoxazole ring contributes to biological activity.
• Material Science Research: Employed in the development of specialty polymers and coatings, where it can act as a cross-linking agent or a monomer precursor.
• Chemical Biology Probes: Utilized in the synthesis of activity-based probes for studying enzyme function and protein interactions.
• Custom Synthesis & Contract Manufacturing: A key starting material for fine chemical manufacturers offering bespoke synthesis services to the life sciences industry.

Basic Information

Product Name	Isoxazole, 3-Cyclopropyl-5-Isocyanato- (9Ci)
CAS No.	59669-74-8
Molecular Formula	C7H6N2O2
Molecular Weight	150.14 g/mol
Synonyms	3-Cyclopropyl-5-isocyanatoisoxazole; 5-Isocyanato-3-cyclopropylisoxazole; 3-Cyclopropylisoxazol-5-yl isocyanate; Isoxazole-5-isocyanate, 3-cyclopropyl-; 59669-74-8; 3-Cyclopropyl-1,2-oxazol-5-yl isocyanate
EINECS	Contact for details

Quality Control

Our Isoxazole, 3-Cyclopropyl-5-Isocyanato- (9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the exacting standards required for research and development. Certificates of Analysis (COA) documenting all critical parameters are available upon request to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and reactive isocyanate nature, store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. Keep away from strong bases and moisture.

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.