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(3-endo)-8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-(1,1-dimethylethyl) ester

  • CAS No. 1222996-05-5

  • Cat. No. CS-0049976
  • Purity≥97%
  • MDL No.None

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

(3-endo)-8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-(1,1-dimethylethyl) ester|CS-0049976

Structure of 1222996-05-5

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General Information

  • CAS No. 1222996-05-5
  • Cat. No. CS-0049976
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁NO₄
  • Molecular Weight 255.31
  • Synonym(s) endo-N-Boc-8-azabicyclo[3.2.1]octane-3-carboxylic Acid
  • SMILES CC(OC(N1[C@H](C2)CC[C@@H]1CC2C(O)=O)=O)(C)C

Description

This bicyclic scaffold features a rigid, electron-deficient core with orthogonal functional handles. The tert-butyl ester group enhances solubility and stability during synthetic manipulations, enabling efficient derivatization at both carboxylic acid sites. Ideal for constructing constrained peptide mimetics and bioactive heterocycles under standard conditions.

Application

(3-endo)-8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid 8-(1,1-dimethylethyl) ester serves as a rigid, conformationally defined bicyclic scaffold for medicinal chemistry applications. The tert-butyl ester group provides enhanced bench stability and facilitates purification, while the dicarboxylic acid motif enables orthogonal derivatization. This compound functions effectively in standard coupling reactions and serves as a key building block for heterocyclic and bioactive molecule synthesis.

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 : 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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Computational Chemistry Data

  • TPSA   66.84
  • LogP   2.2491
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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