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

  • CAS No. 1784831-22-6

  • Cat. No. CS-0079320
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate|CS-0079320

Structure of 1784831-22-6

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General Information

  • CAS No. 1784831-22-6
  • Cat. No. CS-0079320
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄BrN₃O₂
  • Molecular Weight 288.14
  • Synonym(s) tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
  • SMILES O=C(N1CC2=NNC(Br)=C2C1)OC(C)(C)C

Description

tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate features a brominated dihydropyrrolopyrazole core with a bench-stable tert-butyl ester handle. This electrophilic scaffold integrates readily into transition-metal-catalyzed couplings and serves as a versatile intermediate for constructing complex heterocyclic architectures in medicinal chemistry and materials science.

Application

tert-Butyl 3-bromo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate serves as a versatile building block for constructing substituted pyrrolopyrazole scaffolds. The bromide functionality enables palladium-catalyzed cross-coupling reactions, while the tert-butyl ester facilitates selective deprotection and functionalization. Its stability under standard bench conditions and compatibility with diverse reaction partners make it well-suited for medicinal chemistry campaigns requiring modular heterocycle 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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   58.22
  • LogP   2.4229
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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