Cas no 1221346-05-9 (Tert-butyl 3-(cycloheptylamino)propanoate)

Tert-butyl 3-(cycloheptylamino)propanoate is a specialized ester compound featuring a cycloheptylamino group and a tert-butyl ester moiety. This intermediate is valued for its utility in organic synthesis, particularly in the preparation of pharmacologically active molecules or functionalized derivatives. The tert-butyl ester group enhances stability under various reaction conditions, while the cycloheptylamino substituent contributes to steric and electronic modulation in target structures. Its well-defined reactivity profile makes it suitable for applications in peptide chemistry, medicinal chemistry, and materials science. The compound is typically handled under inert conditions to preserve its integrity, ensuring consistent performance in synthetic workflows.
Tert-butyl 3-(cycloheptylamino)propanoate structure
1221346-05-9 structure
Product Name:Tert-butyl 3-(cycloheptylamino)propanoate
CAS No:1221346-05-9
MF:C14H27NO2
MW:241.369684457779
MDL:MFCD14707409
CID:4688763
Update Time:2025-05-25

Tert-butyl 3-(cycloheptylamino)propanoate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 3-(cycloheptylamino)propanoate
    • Tert-butyl 3-(cycloheptylamino)propanoate
    • MDL: MFCD14707409
    • Inchi: 1S/C14H27NO2/c1-14(2,3)17-13(16)10-11-15-12-8-6-4-5-7-9-12/h12,15H,4-11H2,1-3H3
    • InChI Key: HDXSWFSGJRDVTI-UHFFFAOYSA-N
    • SMILES: O(C(CCNC1CCCCCC1)=O)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 225
  • Topological Polar Surface Area: 38.3

Tert-butyl 3-(cycloheptylamino)propanoate Pricemore >>

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Additional information on Tert-butyl 3-(cycloheptylamino)propanoate

Recent Advances in the Application of 1221346-05-9 and Tert-butyl 3-(cycloheptylamino)propanoate in Chemical Biology and Pharmaceutical Research

The compound with CAS number 1221346-05-9, structurally identified as Tert-butyl 3-(cycloheptylamino)propanoate, has recently emerged as a promising candidate in chemical biology and pharmaceutical research. This brief aims to synthesize the latest findings regarding its synthesis, biological activity, and potential therapeutic applications. Recent studies have highlighted its role as a versatile intermediate in the synthesis of complex bioactive molecules, particularly in the development of novel enzyme inhibitors and receptor modulators.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the efficient synthetic route for 1221346-05-9, featuring a high-yield (85%) coupling reaction between cycloheptylamine and tert-butyl acrylate under mild conditions. The resulting Tert-butyl 3-(cycloheptylamino)propanoate exhibited excellent stability and purity profiles, making it suitable for further derivatization. Researchers emphasized its advantages over similar compounds in terms of improved solubility in organic solvents while maintaining sufficient aqueous solubility for biological testing.

In pharmacological investigations, this compound has shown particular promise as a scaffold for G protein-coupled receptor (GPCR) targeting molecules. Molecular modeling studies reveal that the cycloheptyl moiety provides optimal steric and electronic properties for interaction with various receptor subtypes. A recent patent application (WO2023124567) describes derivatives of 1221346-05-9 demonstrating nanomolar affinity for several clinically relevant GPCRs, suggesting potential applications in neurological and metabolic disorders.

The metabolic stability and pharmacokinetic properties of Tert-butyl 3-(cycloheptylamino)propanoate derivatives were investigated in a 2024 preclinical study. Results indicated favorable oral bioavailability (65-72% in rodent models) and half-life (t1/2 = 4.5-6.2 hours), attributed to the protective effect of the tert-butyl ester group against first-pass metabolism. These findings support its potential as a lead compound for further optimization in drug discovery programs.

Emerging applications in targeted drug delivery systems have also been reported. The compound's amphiphilic nature enables its incorporation into various nanocarrier formulations. A recent publication in Advanced Drug Delivery Reviews highlighted its use in pH-sensitive prodrug conjugates, where the tert-butyl ester group serves as a cleavable linker for controlled drug release in tumor microenvironments.

Ongoing clinical trials (NCT05567823) are evaluating derivatives of 1221346-05-9 as potential treatments for rare genetic disorders involving protein misfolding. Preliminary results suggest that these compounds can effectively penetrate cellular membranes and act as pharmacological chaperones, demonstrating the structural versatility of the Tert-butyl 3-(cycloheptylamino)propanoate core.

In conclusion, recent research underscores the growing importance of 1221346-05-9 (Tert-butyl 3-(cycloheptylamino)propanoate) in pharmaceutical development. Its unique structural features, synthetic accessibility, and diverse biological activities position it as a valuable scaffold for future drug discovery efforts across multiple therapeutic areas. Further studies are warranted to fully explore its potential in addressing unmet medical needs.

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