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CS-W001157 4
Total: USD 88.00

2,2'-(5'-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

  • CAS No. 1017967-97-3

  • Cat. No. CS-0110479
  • Purity≥98%
  • MDL No.MFCD30489708

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

2,2'-(5'-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)|CS-0110479

Structure of 1017967-97-3

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General Information

  • CAS No. 1017967-97-3
  • Cat. No. CS-0110479
  • Purity ≥98%
  • MDL No. MFCD30489708
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₂H₅₁B₃O₆
  • Molecular Weight 684.28
  • Synonym(s) 2-[4-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • SMILES CC1(C(C)(OB(O1)C2=CC=C(C=C2)C3=CC(C4=CC=C(C=C4)B5OC(C)(C(C)(O5)C)C)=CC(C6=CC=C(C=C6)B7OC(C)(C(C)(O7)C)C)=C3)C)C

Description

This tetramethylboronate-functionalized terphenyl scaffold features orthogonal boronate groups enabling sequential cross-coupling reactions. The sterically protected dioxaborolane moieties ensure stability under standard conditions while facilitating efficient Pd-catalyzed transformations in complex molecule assembly.

Application

This boronate ester serves as a versatile, bench-stable building block for Suzuki-Miyaura cross-coupling reactions. Its terphenyl backbone with orthogonal tetramethyl-1,3,2-dioxaborolane groups enables sequential or simultaneous coupling under standard conditions. The robust dioxaborolane moieties offer excellent functional group tolerance and ease of purification, making it ideal for constructing complex biaryl architectures in medicinal chemistry and materials science applications.

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   55.38
  • LogP   7.5852
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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