Description

(S)-(-)-2-Isocyanato-3-Methylbutyric Acid Methyl Ester is a chiral isocyanate derivative of L-valine, serving as a critical building block for the synthesis of enantiomerically pure compounds. This compound matters because it enables the precise introduction of the valine side chain and an isocyanate functionality, which is essential for constructing complex molecules with defined stereochemistry. It is primarily needed by researchers and manufacturers in the pharmaceutical and agrochemical industries for developing active ingredients, chiral catalysts, and advanced materials.

Application

• Pharmaceutical Intermediate: Key chiral synthon for the production of protease inhibitors, antiviral drugs, and other active pharmaceutical ingredients (APIs) requiring high stereochemical purity.
• Agrochemical Synthesis: Used in the development of enantiomerically pure herbicides, fungicides, and pesticides where specific stereochemistry impacts biological activity.
• Peptide Mimetics & Conjugates: Facilitates the creation of peptide isosteres and drug conjugates by providing a reactive isocyanate group for urea or carbamate formation.
• Chiral Catalyst & Ligand Preparation: Serves as a precursor for synthesizing chiral auxiliaries, organocatalysts, and ligands used in asymmetric synthesis.
• Polymer & Material Science: Employed in the synthesis of specialized polyurethanes and polymers with chiral centers for advanced material properties.
• Chemical Biology Probes: Useful for labeling biomolecules or creating activity-based probes due to its reactive isocyanate group and chiral handle.

Basic Information

Product Name	(S)-(-)-2-Isocyanato-3-Methylbutyric Acid Methyl Ester
CAS No.	30293-86-8
Molecular Formula	C7H11NO3
Molecular Weight	157.17 g/mol
Synonyms	Methyl (S)-2-Isocyanato-3-methylbutanoate; (S)-2-Isocyanato-3-methylbutyric Acid Methyl Ester; L-Valine, N-carboxy-, methyl ester, isocyanate; Methyl L-2-isocyanato-3-methylbutyrate; (S)-(-)-Methyl 2-isocyanato-3-methylbutanoate; Methyl (S)-(-)-2-isocyanato-3-methylbutyrate; Valine-NCA methyl ester (isocyanate derivative)
EINECS	Contact for details

Quality Control

Our (S)-(-)-2-Isocyanato-3-Methylbutyric Acid Methyl Ester undergoes rigorous quality testing to ensure compliance with industry standards for chiral purity and chemical integrity. We provide comprehensive analytical data, including chiral HPLC or GC analysis to confirm enantiomeric excess (ee). Certificates of Analysis (COA) detailing purity, assay, and impurity profiles are available upon request 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 recommended temperatures (typically 2-8°C or as specified on the label). Due to its hygroscopic and moisture-sensitive nature, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent degradation and polymerization. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC/GC)	≥ 97.0%
Enantiomeric Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.5%

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