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tert-Butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate

  • CAS No. 1280210-79-8

  • Cat. No. CS-M3050
  • Purity≥97%
  • MDL No.MFCD22565651

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

tert-Butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate|CS-M3050

Structure of 1280210-79-8

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General Information

  • CAS No. 1280210-79-8
  • Cat. No. CS-M3050
  • Purity ≥97%
  • MDL No. MFCD22565651
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅N₃O₂
  • Molecular Weight 209.25
  • Synonym(s) 2-Methyl-2-propanyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate
  • SMILES CC(C)(C)OC(N1CC2=CNN=C2C1)=O

Description

tert-Butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate features a rigid, electron-rich heterocyclic core with a bench-stable tert-butyl ester handle. This scaffold integrates seamlessly into medicinal chemistry campaigns, offering a unique spatial profile for target engagement. The dihydropyrrolopyrazole framework supports diverse functionalization at the C5 position, enabling rapid diversification in lead optimization workflows.

Application

tert-Butyl 2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry, enabling efficient access to pyrrolopyrazole scaffolds via mild deprotection or direct functionalization. The dihydropyrrolopyrazole core exhibits robust bench stability and compatibility with diverse transformations, including Pd-catalyzed couplings and electrophilic substitutions, facilitating rapid exploration of nitrogen-rich pharmacophores in API development.

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   58.22
  • LogP   1.6604
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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