Description

2,1-Benzisoxazole-3-Carboxaldehyde (9Ci) is a versatile heterocyclic aldehyde building block of significant interest in advanced organic synthesis. Its core value lies in its bifunctional reactivity, where the aldehyde group and the fused benzisoxazole ring system serve as key handles for constructing complex molecular architectures. This compound is primarily needed by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting the central nervous system (CNS) and possessing potential anti-inflammatory or antimicrobial properties.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its heterocyclic core for bioactivity.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized chelating ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the synthesis of organic semiconductors, fluorescent dyes, and photoactive polymers due to its conjugated system.
• Academic & R&D: A valuable reagent for methodological studies in organic chemistry, including cycloaddition reactions and heterocycle functionalization.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds for client projects.

Basic Information

Product Name	2,1-Benzisoxazole-3-Carboxaldehyde (9Ci)
CAS No.	74052-97-4
Molecular Formula	C8H5NO2
Molecular Weight	147.13 g/mol
Synonyms	1,2-Benzisoxazole-3-carboxaldehyde; 1,2-Benzisoxazole-3-carbaldehyde; 2,1-Benzisoxazole-3-carbaldehyde; 3-Formyl-1,2-benzisoxazole; 3-Formyl-2,1-benzisoxazole; Benzisoxazole-3-carboxaldehyde; 74052-97-4 (CAS)
EINECS	Contact for details

Quality Control

Our 2,1-Benzisoxazole-3-Carboxaldehyde is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) detailing batch-specific results are available upon request to support your quality assurance and regulatory documentation.

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 sensitivity to oxidation, it is recommended to store under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 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.