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tert-Butyl 3-iodo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate

  • CAS No. 657428-55-2

  • Cat. No. CS-0130161
  • Molecule weight335.14
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 3-iodo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate|CS-0130161

Structure of 657428-55-2

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General Information

  • CAS No. 657428-55-2
  • Cat. No. CS-0130161
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄IN₃O₂
  • Molecular Weight 335.14
  • Synonym(s) tert-butyl 3-iodopyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
  • SMILES O=C(N(C1)CC2=C1C(I)=NN2)OC(C)(C)C

Description

tert-Butyl 3-iodo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate features a sterically hindered tert-butyl ester and a reactive iodine at the 3-position, enabling direct cross-coupling. The dihydropyrrolopyrazole core offers enhanced stability and tunable electronic properties for synthetic applications in medicinal chemistry and heterocyclic scaffold development.

Application

tert-Butyl 3-iodo-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate serves as a versatile building block for the synthesis of substituted pyrrolopyrazole scaffolds. The iodine handle enables palladium-catalyzed cross-coupling reactions with broad functional group tolerance. The tert-butyl ester provides stability and facilitates straightforward deprotection under mild acidic conditions. This compound functions effectively in the construction of medicinally relevant heterocycles and is well-suited for iterative synthetic strategies in drug discovery.

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   2.265
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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