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(1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

  • CAS No. 291775-59-2

  • Cat. No. CS-M2578
  • Purity≥98%
  • MDL No.MFCD11099876

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

(1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid|CS-M2578

Structure of 291775-59-2

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General Information

  • CAS No. 291775-59-2
  • Cat. No. CS-M2578
  • Purity ≥98%
  • MDL No. MFCD11099876
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₉NO₄
  • Molecular Weight None
  • Synonym(s) 2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
  • SMILES O=C([C@H]1N(C(OC(C)(C)C)=O)[C@]2([H])CC[C@@]1([H])C2)O

Application

(1R,3S,4S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid serves as a conformationally constrained bicyclic building block for medicinal chemistry and catalytic synthesis. The Boc group provides excellent stability and ease of deprotection under mild acidic conditions. The carboxylic acid functionality enables direct coupling to amines or further derivatization, while the rigid 2-azabicyclo[2.2.1]heptane scaffold imparts defined stereochemistry and spatial orientation—ideal for probing structure-activity relationships in drug discovery and enabling efficient heterocycle formation.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H315-H319-H335-H360-H400
Precautionary Statements : P201-P202-P260-P264-P271-P273-P280-P302+P352-P304+P340-P305+P351+P338-P308+P313-P312-P332+P313-P337+P313-P362+P364-P391-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.84
  • LogP   1.859
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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