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2,4,6-Tris(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine

  • CAS No. 1447947-87-6

  • Cat. No. CS-0097125
  • Purity≥97%
  • MDL No.None

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

2,4,6-Tris(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine|CS-0097125

Structure of 1447947-87-6

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General Information

  • CAS No. 1447947-87-6
  • Cat. No. CS-0097125
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₉H₄₈B₃N₃O₆
  • Molecular Weight 687.25
  • Synonym(s) None
  • SMILES CC1(C)C(C)(C)OB(C2=CC=C(C3=NC(C4=CC=C(B5OC(C)(C)C(C)(C)O5)C=C4)=NC(C6=CC=C(B7OC(C)(C)C(C)(C)O7)C=C6)=N3)C=C2)O1

Description

This triazine scaffold features three boronate ester groups positioned at the 2,4,6-positions, enabling efficient Suzuki-Miyaura coupling reactions. The tetramethyl-substituted dioxaborolane moieties confer enhanced stability and moisture tolerance, facilitating reliable cross-coupling under standard conditions. Ideal for constructing complex molecular architectures in organic synthesis and materials science.

Application

2,4,6-Tris(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine serves as a highly functionalized boronate building block for palladium-catalyzed cross-coupling reactions. Its three pendant boronate ester groups enable efficient triaryltriazine scaffold construction via Suzuki-Miyaura coupling, offering excellent stability, ease of purification, and compatibility with diverse aryl electrophiles in complex molecule 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   94.05
  • LogP   5.7702
  • H_Acceptors   9
  • H_Donors   0
  • Rotatable_Bonds   6

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