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rel-(3aR,7aR)-tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate

  • CAS No. 236406-56-7

  • Cat. No. CS-0058612
  • Purity≥98%
  • MDL No.MFCD12198663

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

rel-(3aR,7aR)-tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate|CS-0058612

Structure of 236406-56-7

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General Information

  • CAS No. 236406-56-7
  • Cat. No. CS-0058612
  • Purity ≥98%
  • MDL No. MFCD12198663
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂N₂O₂
  • Molecular Weight 226.32
  • Synonym(s) (3aS,7aS)-tert-butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
  • SMILES [H][C@@]12[C@@](CN(C(OC(C)(C)C)=O)C2)([H])CCNC1

Description

This bench-stable, moisture-tolerant pyrrolidine derivative features a tert-butyl-protected lactam core with defined stereochemistry at the 3a and 7a positions. It serves as a key chiral building block for synthesizing complex nitrogen-containing heterocycles in medicinal chemistry and asymmetric synthesis.

Application

rel-(3aR,7aR)-tert-Butyl hexahydro-1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate serves as a stereochemically defined heterocyclic building block for the synthesis of bioactive alkaloids and pharmaceutical intermediates. Its stable, bench-ready form facilitates straightforward deprotection and functionalization, enabling efficient access to complex pyrrolidine-fused scaffolds via standard coupling and reduction protocols.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   41.57
  • LogP   1.4628
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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