Description

Methyl L-2-Isothiocyanato-3-Phenylpropionate CAS NO 68521-58-4 is a chiral, non-proteinogenic amino acid derivative featuring a reactive isothiocyanate group. This compound serves as a critical chiral building block and derivatization agent in advanced organic synthesis. It is primarily utilized by research institutions and manufacturers in the pharmaceutical and agrochemical industries for the development of novel active ingredients and complex molecules.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the synthesis of protease inhibitors, enzyme modulators, and other bioactive molecules.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and plant growth regulators with specific stereochemistry.
• Peptide Mimetics & Conjugation: The reactive isothiocyanate group enables site-specific conjugation to amines, useful for creating peptide analogs, bioconjugates, and labeled compounds.
• Asymmetric Synthesis: Employed as a chiral auxiliary or starting material in stereoselective reactions to construct complex molecular architectures.
• Chemical Biology Probes: Useful for synthesizing activity-based probes (ABPs) to study enzyme function and mechanism.
• Material Science Research: Potential monomer or cross-linking agent for specialized polymers with unique properties.

Basic Information

Product Name	Methyl L-2-Isothiocyanato-3-Phenylpropionate
CAS No.	68521-58-4
Molecular Formula	C11H11NO2S
Molecular Weight	221.27 g/mol
Synonyms	L-Phenylalanine, N-isothiocyanato-, methyl ester; Methyl (S)-2-isothiocyanato-3-phenylpropanoate; (S)-Methyl 2-isothiocyanato-3-phenylpropionate; Methyl L-α-isothiocyanatobenzenepropanoate; NSC 334906; L-Phenylalanine methyl ester isothiocyanate; ITC-Phe-OMe; Isothiocyanato-L-phenylalanine methyl ester
EINECS	Contact for details

Quality Control

Our Methyl L-2-Isothiocyanato-3-Phenylpropionate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chiral purity verification, to ensure it meets the high standards required for research and development applications. A Certificate of Analysis (COA) detailing identity, purity, and chiral excess 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). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to minimize exposure to atmospheric moisture. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Chiral Purity (HPLC)	≥ 99.0% ee
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 10 ppm

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