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Ethyl 2-Isocyanato-3-Methylbutyrate CAS NO 13794-39-3


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CAS No.:13794-39-3

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Ethyl 2-Isocyanato-3-Methylbutyrate is a specialized organic isocyanate ester, a key building block in advanced chemical synthesis. Its high reactivity, particularly through the isocyanate functional group, makes it an essential intermediate for creating complex molecules with tailored properties. This compound is primarily sought after by research institutions and industrial manufacturers in the pharmaceutical, agrochemical, and specialty polymer sectors for developing active ingredients and performance materials.

Application

  • Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for compounds requiring a valine-derived or branched-chain amino acid framework.
  • Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where its structure contributes to biological activity and selectivity.
  • Polymer & Resin Modification: Serves as a reactive monomer or cross-linking agent in polyurethane and specialty polymer systems to introduce specific chain branching and modify material properties like flexibility and chemical resistance.
  • Peptide Mimetics & Bioconjugation: Employed in medicinal chemistry for constructing peptide analogs and for bioconjugation strategies, attaching functional molecules to biological entities.
  • Chemical Research & Development: A valuable reagent in academic and industrial R&D labs for exploring new synthetic pathways and creating novel chemical entities.
  • Specialty Chemical Manufacturing: Acts as a key intermediate in the production of dyes, pigments, and other performance chemicals requiring specific isocyanate chemistry.

Basic Information

Item Detail
Product Name Ethyl 2-Isocyanato-3-Methylbutyrate
CAS No. 13794-39-3
Molecular Formula C8H13NO3
Molecular Weight 171.19 g/mol
Synonyms Ethyl 2-Isocyanato-3-methylbutanoate; 2-Isocyanato-3-methylbutyric Acid Ethyl Ester; Ethyl 3-Methyl-2-isocyanatobutyrate; Ethyl α-Isocyanatoisovalerate; L-Valine, N-carboxy-, ethyl ester, N-isocyanate; Isocyanatoisovaleric Acid Ethyl Ester; Ethyl (Isocyanato)(3-methylbutanoyl)acetate (related form).
EINECS Contact for details

Quality Control

Every batch of Ethyl 2-Isocyanato-3-Methylbutyrate is produced and tested under a strict quality management system. We ensure high purity and consistency through advanced analytical techniques, including GC, HPLC, and NMR. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to guarantee it meets your specific research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its highly volatile and reactive isocyanate nature, ensure containers are kept tightly sealed under an inert atmosphere (e.g., nitrogen) when not in use to prevent moisture absorption and polymerization. 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 (GC/HPLC) ≥ 97.0%
Purity (GC Area %) ≥ 98.0%
Water Content (KF) ≤ 0.1%
Specific Gravity (20°C) Contact for details
Refractive Index (n20D) Contact for details

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

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