Cas no 1823268-34-3 (Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate)

Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate is a spirocyclic compound featuring a hydroxyl group at the 7-position and a tert-butoxycarbonyl (Boc) protecting group on the nitrogen. This structure is valuable in organic synthesis, particularly in the preparation of complex heterocycles and pharmaceutical intermediates. The Boc group enhances stability and facilitates selective deprotection under mild acidic conditions, while the hydroxyl group offers a versatile handle for further functionalization. Its rigid spirocyclic framework contributes to conformational control, making it useful in medicinal chemistry for scaffold diversification. The compound is typically handled under inert conditions to preserve its integrity.
Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate structure
1823268-34-3 structure
Product Name:Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
CAS No:1823268-34-3
MF:C13H23NO3
MW:241.326624155045
MDL:MFCD26406415
CID:4620911
PubChem ID:130114807
Update Time:2025-10-28

Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
    • 1-Boc-7-hydroxy-1-azaspiro[4.4]nonane
    • t-Butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
    • AS-54007
    • tert-butyl 8-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
    • CS-0048139
    • AKOS037644572
    • 1-Azaspiro[4.4]nonane-1-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester
    • tert-butyl7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
    • SY324084
    • 1823268-34-3
    • YXC26834
    • P17393
    • MFCD26406415
    • EN300-658484
    • Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate
    • MDL: MFCD26406415
    • Inchi: 1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-4-6-13(14)7-5-10(15)9-13/h10,15H,4-9H2,1-3H3
    • InChI Key: MKWIKFJAUQCTMU-UHFFFAOYSA-N
    • SMILES: OC1CCC2(CCCN2C(=O)OC(C)(C)C)C1

Computed Properties

  • Exact Mass: 241.16779360 g/mol
  • Monoisotopic Mass: 241.16779360 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 310
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 49.8
  • Molecular Weight: 241.33

Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate Pricemore >>

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Additional information on Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate

Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate (CAS No. 1823268-34-3): A Comprehensive Overview in Modern Chemical and Pharmaceutical Research

Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate, identified by the CAS number 1823268-34-3, is a compound of significant interest in the realm of chemical and pharmaceutical research. This spirocyclic azaheterocycle has garnered attention due to its unique structural features and potential applications in drug discovery and molecular chemistry. The compound's structure, featuring a spirocyclic framework connected by an azaheterocycle, presents a versatile scaffold for medicinal chemistry modifications and functionalization.

The< strong>tert-butyl moiety attached to the carboxylate group not only enhances the compound's lipophilicity but also provides a stable handle for further chemical transformations. This characteristic makes it an attractive candidate for designing novel bioactive molecules with improved pharmacokinetic properties. The< strong>7-hydroxy group, located on the spirocyclic backbone, serves as a potential site for hydrogen bonding interactions, which are crucial for the binding affinity of drug candidates to biological targets.

In recent years, spirocyclic compounds have been extensively studied for their role in modulating biological pathways and their potential as pharmacophores. The< strong>1-azaspiro[4.4]nonane core structure of this compound exhibits a rigid conformation that can be exploited to optimize molecular recognition events. This rigidity is particularly beneficial in designing small molecules that interact with specific protein targets, leading to enhanced binding affinity and selectivity.

The< strong>carboxylate functionality at the 1-position of the spirocyclic system not only contributes to the compound's solubility in polar solvents but also provides a site for further derivatization, enabling the synthesis of analogues with tailored properties. These derivatives can be explored for their biological activity, allowing researchers to fine-tune the pharmacological profile of the lead compound.

Recent advancements in computational chemistry and molecular modeling have facilitated the design of novel spirocyclic compounds like< strong>Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate. These computational tools have enabled researchers to predict the binding modes of the compound with various biological targets, providing insights into its potential therapeutic applications. For instance, studies have shown that spirocyclic azaheterocycles can interact with enzymes and receptors involved in metabolic pathways, making them promising candidates for treating metabolic disorders.

The< strong>CAS number 1823268-34-3 serves as a unique identifier for this compound, ensuring accurate documentation and retrieval of research data. This standardized nomenclature system is essential for maintaining consistency in scientific literature and databases, facilitating collaboration among researchers worldwide.

In conclusion, Tert-butyl 7-hydroxy-1-azaspiro[4.4]nonane-1-carboxylate represents a fascinating molecule with significant potential in pharmaceutical research. Its unique structural features and functional groups make it a valuable scaffold for designing novel bioactive compounds. As research continues to uncover new applications for spirocyclic azaheterocycles, compounds like this are likely to play a pivotal role in the development of next-generation therapeutics.

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