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5H-Pyrrolo[1,2-a]imidazol-7(6H)-one

  • CAS No. 112513-82-3

  • Cat. No. CS-0376798
  • Purity≥98%
  • MDL No.MFCD18822831

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

5H-Pyrrolo[1,2-a]imidazol-7(6H)-one|CS-0376798

Structure of 112513-82-3

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General Information

  • CAS No. 112513-82-3
  • Cat. No. CS-0376798
  • Purity ≥98%
  • MDL No. MFCD18822831
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O
  • Molecular Weight 122.12
  • Synonym(s) 7H-Pyrrolo[1,2-a]imidazol-7-one,5,6-dihydro-(9CI)
  • SMILES O=C1CCN2C=CN=C21

Description

5H-Pyrrolo[1,2-a]imidazol-7(6H)-one is a heterocyclic scaffold featuring a fused pyrrole-imidazole core with a lactam functionality. This electron-deficient system enables robust participation in transition metal-catalyzed couplings and serves as a key building block in bioactive molecule synthesis. The compound exhibits bench-stable handling characteristics and integrates readily into complex molecular architectures under standard conditions.

Application

5H-Pyrrolo[1,2-a]imidazol-7(6H)-one serves as a versatile heterocyclic building block for medicinal chemistry and materials science applications. Its fused imidazole-pyrrole core exhibits robust bench stability and tolerates diverse functional groups, enabling straightforward derivatization via standard amine coupling, electrophilic substitution, or transition-metal-catalyzed cross-coupling reactions. The scaffold functions as a key structural motif in bioactive compound libraries and offers favorable solubility and purification characteristics in routine synthetic workflows.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   0.4695
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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