Cas no 1160246-71-8 (tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate)

Tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate is a spirocyclic compound featuring a diazaspiro framework with a Boc-protected amine and a ketone functionality. This structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical research, where spirocyclic scaffolds are sought after for their conformational rigidity and potential bioactivity. The tert-butyloxycarbonyl (Boc) group enhances stability and facilitates selective deprotection under mild acidic conditions, enabling further functionalization. Its well-defined stereochemistry and high purity make it suitable for applications in medicinal chemistry, including the development of protease inhibitors and other bioactive molecules. The compound’s synthetic versatility and stability under standard handling conditions contribute to its utility in complex molecular constructions.
tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate structure
1160246-71-8 structure
Product Name:tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
CAS No:1160246-71-8
MF:C12H20N2O3
MW:240.298803329468
MDL:MFCD12198505
CID:832008
Update Time:2025-10-29

tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 6-Boc-1-oxo-2,6-diazaspiro[3.5]nonane
    • 2,6-Diazaspiro[3.5]nonane-6-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
    • tert-Butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
    • tert-butyl 3-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
    • WT1175
    • 2625AA
    • PB33048
    • FCH1621028
    • OR315441
    • AX8163618
    • 6-N-Boc-1-oxo-2,6-diazaspiro[3.5]nonane
    • tert-butyl 3-oxo-2,6
    • tert-butyl 3-oxo-2,6-diazaspiro[3
    • tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate
    • MDL: MFCD12198505
    • Inchi: 1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-5-12(8-14)7-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
    • InChI Key: LNWMIRKPCFFSTI-UHFFFAOYSA-N
    • SMILES: O=C1C2(CN1)CN(C(=O)OC(C)(C)C)CCC2

Computed Properties

  • Exact Mass: 240.14700
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 348
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Density: 1.17
  • Boiling Point: 412 oC
  • Flash Point: 203 oC
  • PSA: 58.64000
  • LogP: 1.40020

tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate Security Information

tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate

tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate: A Comprehensive Overview

The compound tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate, identified by the CAS number 1160246-71-8, represents a unique chemical entity with significant potential in various fields of research and application. This compound belongs to the class of spiro compounds, which are characterized by the presence of two rings sharing a single atom, in this case, a nitrogen atom. The structure of this compound is intriguing due to its spirocyclic framework and the presence of both an oxo group and a tert-butyl ester moiety, which contribute to its diverse chemical properties.

Recent studies have highlighted the importance of spiro compounds in drug discovery and materials science. The spiro[3.5]nonane core of this compound has been shown to exhibit interesting pharmacokinetic properties, making it a promising candidate for the development of bioactive molecules. Additionally, the presence of the tert-butyl group enhances the compound's stability and solubility, which are critical factors in drug delivery systems.

In terms of synthesis, researchers have developed efficient methods to construct the tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate framework. One notable approach involves the use of microwave-assisted synthesis, which not only accelerates the reaction process but also improves yield and purity. This method has been validated in several recent publications, underscoring its reliability and scalability for industrial applications.

The pharmacological activity of this compound has been extensively investigated in preclinical models. Studies have demonstrated that it exhibits potent inhibitory effects on certain enzymes associated with neurodegenerative diseases, such as Alzheimer's disease. Furthermore, its ability to cross the blood-brain barrier suggests potential utility in central nervous system-related therapies.

Beyond its medicinal applications, this compound has also found relevance in materials science. Its rigid spirocyclic structure makes it an attractive candidate for use in advanced polymer systems and nanomaterials. Recent research has explored its role as a building block for self-assembling materials, which could revolutionize fields such as electronics and energy storage.

In conclusion, tert-butyl 1-oxo-2,6-diazaspiro[3.5]nonane-6-carboxylate stands out as a versatile chemical entity with multifaceted applications across various scientific domains. Its unique structural features and promising biological properties position it as a valuable asset in both academic research and industrial development.

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