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Methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate

  • CAS No. 952800-39-4

  • Cat. No. CS-0022423
  • Purity≥97%
  • MDL No.MFCD09864655

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

Methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate|CS-0022423

Structure of 952800-39-4

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General Information

  • CAS No. 952800-39-4
  • Cat. No. CS-0022423
  • Purity ≥97%
  • MDL No. MFCD09864655
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid methyl ester
  • SMILES O=C(C1=CNC2=CC=CN=C21)OC

Description

Methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate features a fused heterocyclic core with a strategically positioned ester group enabling direct functionalization. This electron-deficient scaffold integrates readily into synthetic sequences requiring nitrogen-rich scaffolds, offering enhanced stability under standard conditions.

Application

Methyl 1H-pyrrolo[3,2-b]pyridine-3-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its pyrrolopyridine core enables efficient functionalization at the C3 position, while the ester group facilitates further derivatization via hydrolysis or coupling reactions. The compound exhibits good bench stability and compatibility with standard synthetic protocols, making it well-suited for use in Suzuki-Miyaura couplings, amide formations, and transition-metal-catalyzed transformations.

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   54.98
  • LogP   1.3495
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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