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tert-Butyl 1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate

  • CAS No. 1414958-79-4

  • Cat. No. CS-0098314
  • Purity≥98%
  • MDL No.MFCD18633184

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

tert-Butyl 1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate|CS-0098314

Structure of 1414958-79-4

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General Information

  • CAS No. 1414958-79-4
  • Cat. No. CS-0098314
  • Purity ≥98%
  • MDL No. MFCD18633184
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈N₂O₂
  • Molecular Weight 222.28
  • Synonym(s) tert-Butyl 6,7-dihydro-1H-pyrrolo[3,2-c]pyridine-5(4H)-carboxylate
  • SMILES O=C(N1CCC(NC=C2)=C2C1)OC(C)(C)C

Description

tert-Butyl 1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a protected amine within a fused pyrrolopyridine core. This scaffold integrates readily into medicinal chemistry campaigns targeting CNS-active compounds and kinase modulators, offering enhanced solubility and metabolic stability in synthetic workflows.

Application

tert-Butyl 1,4,6,7-tetrahydro-5H-pyrrolo[3,2-c]pyridine-5-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and synthetic organic applications. The protected pyrrolopyridine core enables efficient functionalization at the C5 position and supports downstream transformations including hydrogenolysis, amidation, and coupling reactions. Its bench-stable tert-butyl ester facilitates purification and handling, while maintaining compatibility with standard reaction conditions in multistep 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   45.33
  • LogP   2.3079
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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