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Ethyl Isocyanatoacetate CAS NO 2949-22-6


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CAS No.:2949-22-6

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Ethyl Isocyanatoacetate is a versatile bifunctional reagent containing both an isocyanate and an ester group, making it a key building block for heterocyclic and polymer synthesis. This compound is essential for introducing the N=C=O functional group into target molecules under mild conditions, enabling the creation of ureas, carbamates, and amides. It is primarily sought by R&D chemists and process development teams in the pharmaceutical, agrochemical, and specialty polymer industries for constructing active pharmaceutical ingredients (APIs), crop protection agents, and advanced materials.

Application

  • Pharmaceutical Intermediates: Critical for synthesizing urea and carbamate-based drug candidates, including protease inhibitors and kinase inhibitors.
  • Agrochemical Synthesis: Used in the production of herbicides, fungicides, and insecticides that require the carbamate or urea pharmacophore.
  • Polymer Modification: Serves as a cross-linking agent and chain extender in polyurethane and polyurea coatings, adhesives, and elastomers.
  • Peptide Mimetics & Bioconjugation: Facilitates the labeling and modification of biomolecules for research and diagnostic applications.
  • Heterocyclic Chemistry: A key starting material for the synthesis of various nitrogen-containing heterocycles like hydantoins and oxazolidinones.
  • Material Science: Employed in the development of advanced functional materials with tailored surface properties.

Basic Information

Product Name Ethyl Isocyanatoacetate
CAS No. 2949-22-6
Molecular Formula C5H7NO3
Molecular Weight 129.11 g/mol
Synonyms Ethyl (Isocyanato)acetate; Acetic Acid, Isocyanato-, Ethyl Ester; Isocyanatoacetic Acid Ethyl Ester; Ethyl 2-Isocyanatoacetate; NSC 401119; Ethyl Isocyanatoethanoate; Glycine, N-carboxy-, ethyl ester, N-anhydride
EINECS 220-966-3

Quality Control

Our Ethyl Isocyanatoacetate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including assay by GC or HPLC, identity confirmation (IR, NMR), and impurity profiling to ensure high purity and consistency. Certificates of Analysis (COA) with detailed specifications are provided for each shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. 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
Purity (GC/HPLC) ≥ 97.0%
Water Content (KF) ≤ 0.5%
Density (20°C) 1.10 - 1.15 g/mL
Refractive Index (n20D) 1.420 - 1.430

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

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Each batch undergoes strict QC, accompanied by COA, MSDS, and full compliance with international standards.

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