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tert-Butyl 7-oxo-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

  • CAS No. 926659-01-0

  • Cat. No. CS-0048131
  • Purity≥97%
  • MDL No.MFCD23106404
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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*For research and further manufacturing use only, not for direct human use.

tert-Butyl 7-oxo-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate|CS-0048131

Structure of 926659-01-0

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Description

tert-Butyl 7-oxo-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate features a rigid bicyclic core with two nitrogen atoms at strategic positions, enabling precise stereocontrol in asymmetric synthesis. The carbamate group offers convenient deprotection under mild acidic conditions, while the ketone moiety serves as a key electrophilic handle for C–C bond formation. This scaffold combines structural rigidity with functional versatility, making it valuable in the development of complex heterocyclic compounds and bioactive molecules.

Application

tert-Butyl 7-oxo-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate serves as a versatile scaffold for constructing nitrogen-containing heterocycles, enabling efficient access to complex bicyclic frameworks through selective reductions and functionalizations. Its oxo group at C7 and tert-butyl ester at C3 provide orthogonal reactivity, facilitating downstream transformations with high chemoselectivity. The molecule exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

General Information

  • CAS No. 926659-01-0
  • Cat. No. CS-0048131
  • Purity ≥97%
  • MDL No. MFCD23106404
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀N₂O₃
  • Molecular Weight 240.30
  • Synonym(s) 7-Oxo-3,9-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester
  • SMILES O=C1C[C@@H](N2)CN(C(OC(C)(C)C)=O)C[C@@H]2C1

Computational Chemistry Data

  • TPSA   58.64
  • LogP   0.9268
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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