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CS-W001157 4
Total: USD 88.00

IBT6A

  • CAS No. 1022150-12-4

  • Cat. No. CS-2435
  • Purity≥98%
  • MDL No.MFCD20482137

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

IBT6A|CS-2435

Structure of 1022150-12-4

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General Information

  • CAS No. 1022150-12-4
  • Cat. No. CS-2435
  • Purity ≥98%
  • MDL No. MFCD20482137
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₂N₆O
  • Molecular Weight 386.45
  • Synonym(s) None
  • SMILES NC1=C2C(N([C@H]3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1

Description

IBT6A features a robust, electron-deficient heterocyclic core designed for efficient coupling in transition-metal-catalyzed reactions. This bench-stable reagent integrates seamlessly into synthetic workflows requiring precise functionalization under mild conditions.

Application

IBT6A serves as a versatile building block for the synthesis of biologically relevant heterocycles, particularly in the construction of quinoline and isoquinoline scaffolds. Its stability under standard reaction conditions and compatibility with diverse functional groups enables efficient late-stage derivatization. The compound facilitates palladium-catalyzed cross-coupling reactions and functions effectively in modular synthetic sequences common to medicinal chemistry 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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   90.88
  • LogP   3.7923
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   4

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