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11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde

  • CAS No. 142730-52-7

  • Cat. No. CS-0068931
  • Purity≥98%
  • MDL No.MFCD00228049

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

11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde|CS-0068931

Structure of 142730-52-7

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General Information

  • CAS No. 142730-52-7
  • Cat. No. CS-0068931
  • Purity ≥98%
  • MDL No. MFCD00228049
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₅NO₃
  • Molecular Weight 269.30
  • Synonym(s) None
  • SMILES O=CC1=CC2=CC3=C4N(CCC3)CCCC4=C2OC1=O

Description

This pyranoquinoline aldehyde features a fused polycyclic scaffold with a reactive aldehyde at the 10-position, enabling direct coupling in synthetic transformations. The oxo group at C11 enhances electrophilicity, while the tetrahydroquinoline core provides structural rigidity and solubility under standard conditions.

Application

11-Oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbaldehyde serves as a versatile heterocyclic building block for medicinal chemistry campaigns, featuring a reactive aldehyde group and a ketone functionality amenable to reductive amination, condensation, and conjugate addition reactions. Its fused polycyclic structure provides structural rigidity and three-dimensional character suitable for targeted scaffold elaboration in drug discovery. The compound exhibits good bench stability and facilitates efficient purification via chromatography or crystallization.

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   50.52
  • LogP   2.3043
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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