Cas no 1158750-91-4 (Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate)

Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate is a spirocyclic compound featuring a diazaspiro[4.5]decane core with a ketone functionality at the 3-position and a tert-butoxycarbonyl (Boc) protecting group at the 7-nitrogen. This structure is valuable in synthetic organic chemistry, particularly in the development of pharmacologically active molecules, due to its rigid spirocyclic framework and versatile reactivity. The Boc group enhances stability and facilitates selective deprotection, making it suitable for stepwise synthetic strategies. Its well-defined stereochemistry and functional group compatibility make it a useful intermediate for constructing complex heterocycles or peptidomimetics in medicinal chemistry and drug discovery applications.
Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate structure
1158750-91-4 structure
Product Name:Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CAS No:1158750-91-4
MF:C13H22N2O3
MW:254.325383663177
MDL:MFCD11227061
CID:834640
PubChem ID:71304662
Update Time:2025-06-07

Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
    • AK140924
    • 2,?7-?diazaspiro[4.5]?decane-?7-?carboxylic acid, 3-?oxo-?, 1,?1-?dimethylethyl ester
    • 2,7-diazaspiro[4.5]decane-7-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
    • MB09843
    • CM10637
    • FCH1628121
    • 7-Boc-2,7-diazaspiro[4.5]decan-3-one
    • AX8281134
    • ST2407667
    • Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
    • MDL： MFCD11227061
    • Inchi： 1S/C13H22N2O3/c1-12(2,3)18-11(17)15-6-4-5-13(9-15)7-10(16)14-8-13/h4-9H2,1-3H3,(H,14,16)
    • InChI Key： TXCCTNIYGSOUBI-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CCCC2(CC(NC2)=O)C1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 362
  • Topological Polar Surface Area: 58.6

Experimental Properties

  • Density: 1.15±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (5.8 g/l) (25 o C),

Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate Security Information

Tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate Pricemore >>

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abcr
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tert-Butyl 3-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate; .
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