Description

(2S)-2-Isothiocyanato-4-Methyl-Pentanoic Acid Methyl Ester CAS NO 206761-74-2 is a specialized chiral building block featuring both an isothiocyanate and a methyl ester functional group. This compound is of significant value in synthetic organic and medicinal chemistry for the efficient construction of complex molecules. It is primarily sought after by research institutions and pharmaceutical companies engaged in the development of novel therapeutics, agrochemicals, and advanced materials.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of potential drug candidates, particularly in creating thiourea derivatives and heterocyclic compounds.
• Peptidomimetics Research: Used to incorporate non-natural amino acid analogs into peptide chains to study structure-activity relationships and enhance metabolic stability.
• Agrochemical Development: Serves as a precursor in the research and synthesis of new-generation pesticides and herbicides.
• Chemical Biology Probes: Utilized to create affinity-based probes for labeling and studying biological targets due to the reactive isothiocyanate group.
• Asymmetric Synthesis: Employed as a chiral auxiliary or reagent in stereoselective reactions to induce enantioselectivity.
• Material Science: Investigated as a monomer or cross-linking agent for the development of specialized polymers.

Basic Information

Product Name	(2S)-2-Isothiocyanato-4-Methyl-Pentanoic Acid Methyl Ester
CAS No.	206761-74-2
Molecular Formula	C9H15NO2S
Molecular Weight	201.29 g/mol
Synonyms	L-Leucine, N-isothiocyanato-, methyl ester; Methyl (2S)-2-isothiocyanato-4-methylpentanoate; (S)-Methyl 2-isothiocyanato-4-methylpentanoate; Methyl L-2-isothiocyanato-4-methylvalerate; NCS-Leu-OMe; (S)-Methyl 4-methyl-2-isothiocyanatopentanoate; Methyl (S)-2-isothiocyanato-4-methylpentanoate
EINECS	Contact for details

Quality Control

Our (2S)-2-Isothiocyanato-4-Methyl-Pentanoic Acid Methyl Ester is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chiral purity verification by HPLC, to ensure it meets the high standards required for research and development applications. A Certificate of Analysis (COA) detailing purity, enantiomeric excess, and identity is 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 (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere or in a dry environment to maintain stability.

Specification

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

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