Description

(2S,3S)-2-Isocyanato-3-Methylvaleric Acid Methyl Ester is a chiral, non-racemic isocyanate derivative of a branched-chain amino acid, serving as a critical building block for the synthesis of complex, stereodefined molecules. Its primary value lies in enabling the precise introduction of a reactive isocyanate group with defined stereochemistry, which is essential for constructing peptides, peptidomimetics, and other bioactive compounds. This high-purity intermediate is particularly needed by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, agrochemicals, and advanced materials where stereochemical integrity is paramount.

Application

• Pharmaceutical Intermediate: Key chiral synthon for the synthesis of protease inhibitors, enzyme substrates, and other active pharmaceutical ingredients (APIs) requiring specific stereochemistry.
• Peptide & Peptidomimetic Chemistry: Used to incorporate non-natural amino acid residues or to create urea/urethane linkages in peptide backbones for drug discovery and biochemical research.
• Agrochemical Synthesis: Building block for developing chiral herbicides, fungicides, and insecticides with enhanced efficacy and selectivity.
• Polymer & Material Science: Monomer for the production of specialized polyurethanes and polymers with tailored properties, such as biocompatible coatings or adhesives.
• Chemical Biology Probes: Utilized in the design and synthesis of activity-based probes (ABPs) and other tools for studying enzyme function and protein interactions.
• Custom Synthesis & Contract Manufacturing: Serves as a starting material for custom synthesis projects requiring high stereochemical purity and reliable supply.

Basic Information

Product Name	(2S,3S)-2-Isocyanato-3-Methylvaleric Acid Methyl Ester
CAS No.	120219-17-2
Molecular Formula	C8H13NO3
Molecular Weight	171.19 g/mol
Synonyms	Methyl (2S,3S)-2-Isocyanato-3-methylpentanoate; L-Isoleucine, N-carboxy-, methyl ester, anhydride (stereoisomer); (2S,3S)-3-Methyl-2-isocyanatopentanoic Acid Methyl Ester; Methyl (2S,3S)-3-methyl-2-isocyanatopentanoate; (S,S)-2-Isocyanato-3-methylvaleric acid methyl ester; Isoleucine isocyanate methyl ester (stereospecific)
EINECS	Contact for details

Quality Control

Our (2S,3S)-2-Isocyanato-3-Methylvaleric Acid Methyl Ester is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral HPLC and NMR, to ensure high chemical and enantiomeric purity. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C. Due to its hygroscopic and moisture-sensitive nature, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent hydrolysis and maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.