Cas no 1086394-55-9 (Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate)

Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate is a spirocyclic amine derivative widely used as a key intermediate in pharmaceutical synthesis. Its rigid spirocyclic structure enhances stereochemical control, making it valuable for constructing complex bioactive molecules. The tert-butyloxycarbonyl (Boc) protecting group ensures stability during synthetic transformations while allowing selective deprotection under mild acidic conditions. This compound is particularly useful in medicinal chemistry for developing CNS-targeting drugs and peptidomimetics due to its balanced lipophilicity and conformational constraints. Its high purity and consistent performance make it a reliable choice for research and industrial applications requiring precise molecular scaffolds.
Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate structure
1086394-55-9 structure
Product Name:Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
CAS No:1086394-55-9
MF:C13H24N2O2
MW:240.341863632202
MDL:MFCD11223531
CID:832035
PubChem ID:56962155
Update Time:2025-10-20

Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
    • 2-BOC-2,6-DIAZASPIRO[4.5]DECANE
    • 2,6-DIAZASPIRO[4.5]DECANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
    • PB25387
    • FCH1628063
    • OR303044
    • AK140922
    • AX8281132
    • DTXSID00719160
    • CS-0000610
    • 1086394-55-9
    • AKOS016028527
    • tert-butyl2,6-diazaspiro[4.5]decane-2-carboxylate
    • EN300-1461628
    • DB-361608
    • MFCD11223531
    • SCHEMBL20186657
    • GG-0718
    • Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
    • MDL: MFCD11223531
    • Inchi: 1S/C13H24N2O2/c1-12(2,3)17-11(16)15-9-7-13(10-15)6-4-5-8-14-13/h14H,4-10H2,1-3H3
    • InChI Key: LIBZZJJMJPLVQW-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCC2(CCCCN2)C1)=O

Computed Properties

  • Exact Mass: 240.183778013g/mol
  • Monoisotopic Mass: 240.183778013g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 298
  • 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
  • Topological Polar Surface Area: 41.6
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid

Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate Security Information

Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate Pricemore >>

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Additional information on Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate

Comprehensive Overview of Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate (CAS No. 1086394-55-9): Properties, Applications, and Industry Insights

In the rapidly evolving field of pharmaceutical and chemical research, Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate (CAS No. 1086394-55-9) has emerged as a compound of significant interest. This spirocyclic amine derivative is widely recognized for its unique structural properties and versatile applications in drug discovery. With the increasing demand for novel heterocyclic compounds in medicinal chemistry, this molecule has garnered attention for its potential in designing central nervous system (CNS) therapeutics and enzyme inhibitors.

The compound’s spirocyclic scaffold offers exceptional three-dimensional complexity, making it a valuable building block for fragment-based drug design (FBDD). Researchers are particularly intrigued by its ability to modulate biological targets with high selectivity, a feature often sought after in the development of next-generation pharmaceuticals. Recent trends in AI-driven drug discovery have further highlighted the importance of such structurally diverse compounds, as they align with the industry’s shift toward computational chemistry and virtual screening.

From a synthetic perspective, Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate is synthesized through multi-step organic reactions, often involving Boc-protection strategies and ring-closure methodologies. Its carboxylate ester functionality enhances solubility, facilitating its use in high-throughput screening (HTS) platforms. The compound’s CAS No. 1086394-55-9 serves as a critical identifier in global chemical databases, ensuring traceability and compliance with REACH and other regulatory frameworks.

One of the most searched questions in the scientific community revolves around the stability and storage conditions of this compound. Studies indicate that Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate remains stable under inert atmospheres at low temperatures, making it suitable for long-term research applications. Additionally, its compatibility with green chemistry principles has been explored, aligning with the growing emphasis on sustainable synthesis in the pharmaceutical industry.

In the context of drug development pipelines, this compound has been investigated for its role in kinase inhibition and GPCR modulation. Its spirocyclic core mimics natural product architectures, a feature increasingly leveraged in bioactive molecule design. As the demand for precision medicine rises, compounds like Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate are poised to play a pivotal role in addressing unmet medical needs.

Beyond pharmaceuticals, the compound’s utility extends to material science, where its rigid structure contributes to the development of advanced polymers and catalysts. The integration of machine learning algorithms in predicting its physicochemical properties has further expanded its potential applications, resonating with the industry’s digital transformation.

In summary, Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate (CAS No. 1086394-55-9) represents a convergence of innovation and practicality in modern chemistry. Its multifaceted applications, coupled with its alignment with cutting-edge research trends, underscore its importance in both academic and industrial settings. As the scientific community continues to explore its capabilities, this compound is expected to remain a focal point in the quest for novel therapeutic agents and functional materials.

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