Description

Methyl L-2-Isothiocyanato-4-Methylvalerate is a specialized chiral building block and intermediate of significant importance in advanced organic synthesis. Its core value lies in the reactive isothiocyanate group, which enables efficient incorporation into complex molecular architectures. This compound is primarily needed by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, agrochemicals, and bioactive compounds, where precise stereochemistry is critical.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of potential drug candidates, particularly in medicinal chemistry programs targeting protease inhibitors or other biologically active molecules.
• Agrochemical Research: Used in the development of novel pesticides and herbicides, where its structure can contribute to specific biological activity.
• Peptide & Protein Modification: The isothiocyanate group reacts with amino groups, making it useful for labeling, cross-linking, or modifying peptides and proteins in biochemical research.
• Ligand Synthesis for Catalysis: Serves as a precursor for creating chiral ligands used in asymmetric catalysis to produce enantiomerically pure compounds.
• Chemical Biology Probes: Employed in the design and synthesis of activity-based probes (ABPs) for studying enzyme function and mechanism.
• Custom Synthesis & Contract Manufacturing: A valuable starting material for custom synthesis houses serving the fine chemical and life science industries.

Basic Information

Product Name	Methyl L-2-Isothiocyanato-4-Methylvalerate
CAS No.	21055-43-6
Molecular Formula	C8H13NO2S
Molecular Weight	187.26 g/mol
Synonyms	L-Leucine, N-isothiocyanato-, methyl ester; Methyl (S)-2-isothiocyanato-4-methylpentanoate; (S)-Methyl 2-isothiocyanato-4-methylvalerate; Methyl L-leucine isothiocyanate; L-2-Isothiocyanato-4-methylvaleric acid methyl ester; NCS-Leu-OMe; Leucine, N-isothiocyanato-, methyl ester, L-
EINECS	Contact for details

Quality Control

Our Methyl L-2-Isothiocyanato-4-Methylvalerate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing to ensure high chemical purity, correct stereochemistry, and consistent performance. We provide full traceability and Certificates of Analysis (COA) are available upon request, detailing parameters such as assay, enantiomeric excess, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Enantiomeric Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%

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