Cas no 1503470-56-1 (tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate)

Tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate is a versatile intermediate in organic synthesis, particularly valued for its reactive isocyanate functional group and protected amine moiety. The tert-butyloxycarbonyl (Boc) group enhances stability, facilitating handling and storage while allowing selective deprotection under mild acidic conditions. The isocyanate group enables efficient incorporation into ureas, carbamates, and other derivatives, making it useful in pharmaceutical and agrochemical applications. Its pyrrolidine scaffold contributes to conformational rigidity, which can influence the stereochemistry and bioactivity of final compounds. This compound is particularly advantageous for stepwise synthesis requiring controlled reactivity and orthogonal protection strategies.
tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate structure
1503470-56-1 structure
Product Name:tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate
CAS No:1503470-56-1
MF:C11H18N2O3
MW:226.272222995758
CID:5893417
PubChem ID:83680960
Update Time:2025-05-19

tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate
    • EN300-1905012
    • 1503470-56-1
    • Inchi: 1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-4-5-9(13)7-12-8-14/h9H,4-7H2,1-3H3
    • InChI Key: YMUPIMQZUDQMSP-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCCC1CN=C=O)=O

Computed Properties

  • Exact Mass: 226.13174244g/mol
  • Monoisotopic Mass: 226.13174244g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 303
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 59?2

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Additional information on tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate

Comprehensive Overview of tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate (CAS No. 1503470-56-1)

The compound tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate (CAS No. 1503470-56-1) is a specialized organic molecule widely utilized in pharmaceutical research, peptide synthesis, and material science. Its unique structure, featuring a pyrrolidine ring and an isocyanate functional group, makes it a valuable intermediate for constructing complex molecular architectures. Researchers and industries are increasingly interested in this compound due to its versatility in drug discovery and its role in click chemistry applications.

One of the most searched questions about tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate revolves around its synthesis and stability. The compound is typically synthesized under controlled conditions to ensure high purity, as the isocyanate group is reactive and requires careful handling. Recent advancements in green chemistry have also sparked interest in optimizing its production to reduce environmental impact. This aligns with the growing demand for sustainable chemical processes in the pharmaceutical industry.

Another trending topic related to CAS No. 1503470-56-1 is its application in proteomics and bioconjugation. The compound’s ability to form stable linkages with amines and other nucleophiles makes it ideal for labeling biomolecules. Researchers are exploring its potential in targeted drug delivery systems and diagnostic imaging, where precise molecular tagging is critical. These applications are frequently discussed in forums and scientific publications, highlighting its relevance in cutting-edge research.

From an SEO perspective, keywords like “tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate uses”, “CAS 1503470-56-1 suppliers”, and “pyrrolidine derivatives in drug development” are highly searched. Addressing these queries, this compound is commercially available through reputable chemical suppliers, often with detailed technical data sheets. Its role in high-throughput screening and combinatorial chemistry further underscores its importance in modern laboratories.

In summary, tert-butyl 2-(isocyanatomethyl)pyrrolidine-1-carboxylate (CAS No. 1503470-56-1) is a multifaceted compound with significant applications in medicinal chemistry and biotechnology. Its synthesis, stability, and functional versatility continue to drive research interest, making it a staple in innovative scientific endeavors. As the demand for custom chemical intermediates grows, this compound remains a key player in advancing both academic and industrial projects.

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