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5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

  • CAS No. 518990-56-2

  • Cat. No. CS-0035896
  • Purity≥97%
  • MDL No.MFCD10697132

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

5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid|CS-0035896

Structure of 518990-56-2

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General Information

  • CAS No. 518990-56-2
  • Cat. No. CS-0035896
  • Purity ≥97%
  • MDL No. MFCD10697132
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇N₃O₄
  • Molecular Weight 267.28
  • Synonym(s) 5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
  • SMILES CC(C)(C)OC(=O)N1CCC2=NNC(=C2C1)C(=O)O

Description

This tetrahydro-pyrazolopyridine derivative features a tert-butoxycarbonyl-protected amine and a carboxylic acid group, enabling straightforward functionalization. The electron-deficient heterocycle facilitates coupling reactions, while the bench-stable, moisture-tolerant structure simplifies handling in synthetic workflows.

Application

5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid serves as a versatile building block for the synthesis of pyrazolopiperidine-based scaffolds. Its tert-butyl ester functionality enables selective deprotection under mild acidic conditions, facilitating downstream conjugation or functionalization. The molecule exhibits excellent bench stability and compatibility with standard coupling reactions, making it well-suited for medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Synthesis

  • Route1

    References

    • AMGEN INC.; MEMORY PHARMACEUTICALS CORPORTION Patent: WO2007/98169 A1, 2007 ; Location in patent: Page/Page column 53 ;

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   95.52
  • LogP   1.4011
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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