Description

2-Isocyanooctanoic Acid Methyl Ester is a specialized organic building block featuring both an isocyano and an ester functional group. This unique bifunctional structure makes it a valuable intermediate for the synthesis of heterocyclic compounds and complex molecular architectures. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for lead optimization and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of heterocyclic scaffolds for drug discovery programs, particularly for libraries targeting protease inhibition.
• Agrochemical Research: Used in constructing novel active ingredients for crop protection agents, leveraging its reactivity for structure-activity relationship (SAR) studies.
• Chemical Biology Probe Development: Serves as a versatile handle for bioorthogonal labeling and the synthesis of activity-based probes (ABPs) due to the reactive isocyano group.
• Material Science: Potential monomer or cross-linking agent in the development of specialized polymers with unique functional properties.
• Academic & Contract Research: Employed in methodological chemistry research for developing new multicomponent reactions (MCRs) and catalytic processes.

Basic Information

Product Name	2-Isocyanooctanoic Acid Methyl Ester
CAS No.	730964-71-3
Molecular Formula	C10H17NO2
Molecular Weight	183.25 g/mol
Synonyms	Methyl 2-Isocyanooctanoate; Octanoic acid, 2-isocyano-, methyl ester; Methyl 2-Isocyanocaprylate; 2-Isocyanocaprylic Acid Methyl Ester; Methyl α-Isocyanocaprylate
EINECS	Contact for details

Quality Control

Our 2-Isocyanooctanoic Acid Methyl Ester is produced under strict quality management protocols. Each batch undergoes comprehensive analytical characterization to ensure identity, purity, and consistency, meeting the stringent requirements of research and development applications. A detailed Certificate of Analysis (COA) providing HPLC/GC purity, NMR, and other relevant spectral data is supplied with every shipment to guarantee traceability and reliability for your critical projects.

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). This compound is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain optimal stability and purity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC/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.