Cas no 1221792-93-3 (tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate)

Tert-Butyl 2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate is a spirocyclic compound featuring a fused oxo-pyrrolidine and piperidine ring system, with a tert-butoxycarbonyl (Boc) protecting group. This structure makes it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and bioactive molecules. The Boc group enhances solubility and stability, facilitating selective deprotection under mild acidic conditions. Its spirocyclic framework offers conformational rigidity, which is advantageous in drug design for targeting specific biological pathways. The compound’s high purity and well-defined reactivity profile make it suitable for use in peptide chemistry and heterocyclic synthesis.
tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate structure
1221792-93-3 structure
Product Name:tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate
CAS No:1221792-93-3
MF:C12H21N3O3
MW:255.31344294548
MDL:MFCD16140321
CID:3047494
PubChem ID:50853202
Update Time:2025-06-12

tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate
    • CS-0149614
    • AKOS005071893
    • WYB79293
    • tert-butyl2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate
    • tert-butyl 3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate
    • MFCD16140321
    • BE-0724
    • Z1160823472
    • SCHEMBL3918200
    • DB-093868
    • EN300-6497432
    • A1-01027
    • 1221792-93-3
    • G30789
    • tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate
    • MDL: MFCD16140321
    • Inchi: 1S/C12H21N3O3/c1-11(2,3)18-10(17)15-6-4-12(5-7-15)13-8-9(16)14-12/h13H,4-8H2,1-3H3,(H,14,16)
    • InChI Key: IOZYREZEVMLRIZ-UHFFFAOYSA-N
    • SMILES: N1C2(CCN(C(OC(C)(C)C)=O)CC2)NCC1=O

Computed Properties

  • Exact Mass: 255.15829154g/mol
  • Monoisotopic Mass: 255.15829154g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 354
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 70.7?2

tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate Security Information

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tert-Butyl 2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate, 95%; .
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Additional information on tert-Butyl 2-Oxo-1,4,8-triazaspiro4.5decane-8-carboxylate

tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate (CAS No. 1221792-93-3): A Comprehensive Overview

tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate (CAS No. 1221792-93-3) is a complex organic compound that has garnered significant attention in recent years due to its unique structural properties and potential applications in various fields, including medicinal chemistry and materials science. This compound belongs to the class of spiro compounds, which are characterized by a central spiro atom connecting two rings. The presence of the tert-butyl group and the oxo functionality adds to its chemical versatility and reactivity.

The tert-butyl group in tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate plays a crucial role in stabilizing the molecule and influencing its reactivity. This group is known for its steric hindrance, which can protect reactive sites and control the selectivity of chemical reactions. The oxo functionality at the C-2 position introduces a carbonyl group, which can participate in various chemical transformations such as nucleophilic addition and condensation reactions.

The 1,4,8-triazaspiro[4.5]decane scaffold is a key feature of this compound. Spiro compounds are known for their rigidity and conformational constraints, which can influence the biological activity of molecules containing them. The triaza ring system provides additional functional groups that can be modified to fine-tune the properties of the molecule. These features make tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate an attractive candidate for drug discovery and development.

Recent studies have explored the potential of tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate in medicinal chemistry. One notable application is its use as a building block for the synthesis of bioactive molecules with potential therapeutic applications. For instance, researchers have synthesized derivatives of this compound that exhibit potent anti-inflammatory and anti-cancer activities. These derivatives have shown promising results in preclinical studies, demonstrating their potential as lead compounds for further development.

In addition to its medicinal applications, tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate has also been investigated for its use in materials science. The rigid spiro structure and the presence of multiple functional groups make it suitable for the synthesis of advanced materials with unique properties. For example, it has been used as a monomer in the preparation of polymers with enhanced mechanical strength and thermal stability.

The synthesis of tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate typically involves multistep reactions that require careful control of reaction conditions to ensure high yields and purity. One common synthetic route involves the condensation of a suitable amine with a tert-butyl ester followed by cyclization to form the spiro ring system. Recent advancements in synthetic methods have led to more efficient and environmentally friendly approaches to producing this compound.

The physical and chemical properties of tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate have been extensively studied to understand its behavior in different environments. It is generally stable under normal conditions but can undergo various chemical transformations under specific reaction conditions. Its solubility properties are influenced by the presence of polar functional groups such as the carbonyl and amine groups.

In conclusion, tert-Butyl 2-Oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylate (CAS No. 1221792-93-3) is a versatile compound with significant potential in both medicinal chemistry and materials science. Its unique structural features and functional groups make it an attractive candidate for further research and development. As new synthetic methods and applications continue to emerge, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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