Description

Methyl L-2-Isothiocyanato-3-Methylbutyrate CAS NO 21055-41-4 is a specialized chiral building block featuring both an isothiocyanate and an ester functional group. This compound is of significant value in synthetic organic chemistry for the stereoselective construction of complex molecules. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of novel therapeutic agents, particularly in protease inhibitor research.
• Agrochemical Synthesis: Used in the research and production of advanced, stereospecific pesticides and herbicides.
• Peptidomimetics & Bioconjugation: The reactive isothiocyanate group enables efficient coupling with amines, making it valuable for creating peptide analogs and bioconjugates for drug delivery systems.
• Chemical Biology Probes: Serves as a building block for synthesizing activity-based probes to study enzyme function and mechanisms.
• Asymmetric Synthesis: Utilized as a chiral auxiliary or reagent in stereocontrolled chemical transformations to introduce the L-valine derivative moiety.
• Material Science Research: Investigated for the synthesis of specialized polymers and functional materials with unique properties.

Basic Information

Product Name	Methyl L-2-Isothiocyanato-3-Methylbutyrate
CAS No.	21055-41-4
Molecular Formula	C7H11NO2S
Molecular Weight	173.23 g/mol
Synonyms	L-Valine, N-isothiocyanato-, methyl ester; Methyl (S)-2-isothiocyanato-3-methylbutanoate; (S)-Methyl 2-isothiocyanato-3-methylbutyrate; Methyl L-valine N-carbothioate; Methyl ester of L-valine isothiocyanate; L-Valine isothiocyanate methyl ester; ITC-Val-OMe; VITC-OMe
EINECS	Contact for details

Quality Control

Our Methyl L-2-Isothiocyanato-3-Methylbutyrate is produced under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity verification by HPLC, to ensure it meets the high standards required for research and process development. Certificates of Analysis (COA) detailing identity, purity, and chiral excess are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (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.