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CS-W001157 4
Total: USD 88.00

2-Azabicyclo[2.2.2]octan-3-one

  • CAS No. 3306-69-2

  • Cat. No. CS-0052042
  • Purity≥97%
  • MDL No.None
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    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.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

2-Azabicyclo[2.2.2]octan-3-one|CS-0052042

Structure of 3306-69-2

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Description

2-Azabicyclo[2.2.2]octan-3-one delivers a rigid, nitrogen-substituted cycloalkanone framework ideal for probing conformational constraints in medicinal chemistry. The bridgehead nitrogen imparts enhanced polarity and hydrogen-bonding capacity, while the ketone group serves as a versatile handle for selective derivatization under mild conditions. This scaffold supports efficient integration into bioactive molecules requiring defined three-dimensional architecture.

Application

2-Azabicyclo[2.2.2]octan-3-one serves as a conformationally constrained scaffold for medicinal chemistry, enabling the study of stereoregulated interactions in bioactive molecules. Its stable bicyclic structure features a ketone at C3 and a tertiary amine at N1, offering orthogonal reactivity for selective functionalization. The molecule exhibits excellent bench stability and facilitates efficient derivatization via enolate alkylation or reductive amination, making it a practical building block for targeted synthesis of nitrogen-containing heterocycles and drug-like compounds.

General Information

  • CAS No. 3306-69-2
  • Cat. No. CS-0052042
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO
  • Molecular Weight 125.17
  • Synonym(s) 2-azabicyclo
  • SMILES O=C1NC2CCC1CC2

Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.675
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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