Description

(S)-Methyl 2-Isothiocyanato-3-Phenylpropanoate CAS NO 88576-93-6 is a high-purity chiral building block featuring both an isothiocyanate and an ester functional group. This compound is critical for the synthesis of complex molecules, particularly in pharmaceutical research where stereochemical control is paramount. It is primarily utilized by medicinal chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries for constructing novel active ingredients and intermediates.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of protease inhibitors, kinase inhibitors, and other small-molecule therapeutics.
• Peptidomimetic Synthesis: Used to introduce thiourea or thiosemicarbazide linkages in peptide backbones, creating stable analogs for drug discovery.
• Agrochemical Research: Serves as a precursor for novel herbicides, fungicides, and plant growth regulators with specific chiral activity.
• Chemical Biology Probes: Enables the labeling and study of protein-ligand interactions through its reactive isothiocyanate group.
• Asymmetric Catalysis Ligand Precursor: Can be transformed into chiral ligands or organocatalysts for enantioselective synthesis.
• Material Science: Potential monomer for specialty polymers with unique optical or mechanical properties.

Basic Information

Product Name	(S)-Methyl 2-Isothiocyanato-3-Phenylpropanoate
CAS No.	88576-93-6
Molecular Formula	C11H11NO2S
Molecular Weight	221.27 g/mol
Synonyms	(S)-Methyl 2-Isothiocyanato-3-phenylpropionate; L-Phenylalanine, methyl ester, N-isothiocyanate; Methyl (S)-2-isothiocyanato-3-phenylpropanoate; (S)-Methyl 2-isothiocyanato-3-phenylpropanoate; Methyl L-2-isothiocyanato-3-phenylpropionate; (S)-2-Isothiocyanato-3-phenylpropionic acid methyl ester; NSC 405124; Methyl (S)-α-isothiocyanatobenzenepropanoate
EINECS	Contact for details

Quality Control

Our (S)-Methyl 2-Isothiocyanato-3-Phenylpropanoate is manufactured 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 development. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming identity, purity, and enantiomeric excess.

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 prevent moisture absorption and potential degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%

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