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3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

  • CAS No. 1211589-13-7

  • Cat. No. CS-0018871
  • Molecule weight213.03
  • Purity≥97%
  • MDL No.MFCD18256432

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

3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one|CS-0018871

Structure of 1211589-13-7

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General Information

  • CAS No. 1211589-13-7
  • Cat. No. CS-0018871
  • Purity ≥97%
  • MDL No. MFCD18256432
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂O
  • Molecular Weight 213.03
  • Synonym(s) None
  • SMILES O=C1NCC2=NC=C(Br)C=C21

Description

3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one is a brominated heterocyclic compound featuring a fused pyrrolopyridinone core with enhanced reactivity at the 3-position. This bench-stable scaffold integrates readily into cross-coupling transformations and serves as a key intermediate in medicinal chemistry for targeted molecular diversification.

Application

3-Bromo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo functionality. The molecule exhibits good bench stability and facilitates the construction of complex pyrrolopyridine scaffolds relevant to medicinal chemistry research. Its functional group tolerance supports downstream derivatization in standard 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 : 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   41.99
  • LogP   1.0875
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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