Description

2-Isocyanohexanoic Acid Methyl Ester is a versatile isocyanide building block used in organic synthesis. This compound is valued for its role as a key intermediate in the construction of complex heterocycles and peptidomimetics via multicomponent reactions. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for lead discovery and optimization.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of heterocyclic scaffolds for drug discovery programs, particularly for libraries targeting protease inhibition.
• Agrochemical Research: Used in the development of novel active ingredients, leveraging its isocyanide functionality for efficient synthesis of complex molecules.
• Multicomponent Reaction (MCR) Chemistry: Serves as a critical reactant in Passerini and Ugi-type reactions to rapidly generate molecular diversity and complex amide derivatives.
• Peptidomimetic Synthesis: Employed in the design and synthesis of peptide analogs and constrained structures for biological evaluation.
• Material Science Research: Potential monomer or building block for the development of novel polymers with specialized properties.
• Academic & Contract Research: Essential reagent for methodological development in synthetic organic chemistry within university and CRO laboratories.

Basic Information

Product Name	2-Isocyanohexanoic Acid Methyl Ester
CAS No.	730964-70-2
Molecular Formula	C8H13NO2
Molecular Weight	155.19 g/mol
Synonyms	Methyl 2-Isocyanohexanoate; Methyl 2-Isocyanohexanoate; Methyl 2-Isocyanohexanoate; 2-Isocyanohexanoic Acid Methyl Ester; Hexanoic acid, 2-isocyano-, methyl ester; Methyl 2-isocyanohexanoate; Methyl 2-isocyanohexanoate; 2-Isocyano-caproic acid methyl ester
EINECS	Contact for details

Quality Control

Our 2-Isocyanohexanoic Acid Methyl Ester is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity assessment and identity confirmation, 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, and well-ventilated place. Due to its highly volatile and light-sensitive nature, it is recommended to store the material at 2-8°C under an inert atmosphere for long-term stability. Keep away from heat and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
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.