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CS-W001157 4
Total: USD 88.00

5-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole

  • CAS No. 894086-00-1

  • Cat. No. CS-W013820
  • Purity≥97%
  • MDL No.MFCD09038440

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

5-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole|CS-W013820

Structure of 894086-00-1

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General Information

  • CAS No. 894086-00-1
  • Cat. No. CS-W013820
  • Purity ≥97%
  • MDL No. MFCD09038440
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₂H₃₅N₄P
  • Molecular Weight 506.62
  • Synonym(s) 5-(Di-Tert-Butylphosphino)-1',3',5'-Triphenyl-1'H-[1,4']Bipyrazole
  • SMILES CC(P(C(C)(C)C)C1=CC=NN1C2=C(C3=CC=CC=C3)N(C4=CC=CC=C4)N=C2C5=CC=CC=C5)(C)C

Description

Non-proprietary ligand for palladium-catalyzed amination of aryl halides including aryl chlorides. Works best when the palladium source is Pd2(dba)3 (328774).

Application

5-(di-tert-Butylphosphino)-1',3',5'-triphenyl-1'H-1,4'-bipyrazole serves as a sterically encumbered, bench-stable phosphine ligand that facilitates palladium-catalyzed cross-coupling reactions. Its triphenylbipyrazole backbone provides robust coordination to transition metals, while the bulky di-tert-butylphosphino group enhances catalyst stability and suppresses unwanted side reactions. This ligand enables efficient coupling of challenging substrates under mild conditions and is particularly effective in Suzuki-Miyaura and Negishi-type transformations.

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   35.64
  • LogP   8.0962
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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