Description

Ethyl 3-Isocyanato-3-Phenylpropanoate is a versatile organic building block characterized by the presence of both an isocyanate and an ester functional group. This bifunctional nature makes it a critical intermediate for synthesizing more complex molecules, particularly in the pharmaceutical and agrochemical sectors. It is primarily sought after by R&D chemists and process development scientists for constructing heterocycles, amides, and polymers. The compound offers a valuable route to introduce specific pharmacophores or modify compound solubility and reactivity profiles.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those containing β-amino acid or hydantoin derivatives.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, leveraging its reactivity to create novel active compounds.
• Polymer Chemistry: Serves as a monomer or cross-linking agent in the production of specialty polyurethanes and polyureas with tailored properties.
• Peptidomimetics Research: Employed in medicinal chemistry for creating peptide analogs and constrained scaffolds to improve metabolic stability.
• Chemical Library Development: A valuable reagent for combinatorial and parallel synthesis in drug discovery for generating diverse compound libraries.
• Material Science: Used in the surface modification of materials and the development of advanced coatings and adhesives.

Basic Information

Product Name	Ethyl 3-Isocyanato-3-Phenylpropanoate
CAS No.	88636-83-3
Molecular Formula	C12H13NO3
Molecular Weight	219.24 g/mol
Synonyms	3-Isocyanato-3-phenylpropionic acid ethyl ester; Ethyl 3-isocyanato-3-phenylpropionate; β-Isocyanato-β-phenylpropionic acid ethyl ester; 3-Phenyl-3-isocyanatopropanoic acid ethyl ester; NSC 405124; Ethyl (3-isocyanato-3-phenyl)propanoate; 88636-83-3; 3-Phenyl-3-isocyanatopropionic acid ethyl ester
EINECS	Contact for details

Quality Control

Our Ethyl 3-Isocyanato-3-Phenylpropanoate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, identity, and impurity profiles. Our quality system is designed to meet the stringent requirements of cGMP and ISO standards for advanced chemical intermediates.

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 (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation from moisture. Keep away from heat, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 3.0%

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