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CS-W001157 4
Total: USD 88.00

4MetBuXPhos

  • CAS No. 857356-94-6

  • Cat. No. CS-W001169
  • Purity≥98%
  • MDL No.MFCD09038436

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

4MetBuXPhos|CS-W001169

Structure of 857356-94-6

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General Information

  • CAS No. 857356-94-6
  • Cat. No. CS-W001169
  • Purity ≥98%
  • MDL No. MFCD09038436
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₃H₅₃P
  • Molecular Weight 480.75
  • Synonym(s) Tetramethyl di-tBuXPhos
  • SMILES CC(P(C(C)(C)C)C1=C(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)C(C)=C(C)C(C)=C1C)(C)C

Application

4MetBuXPhos serves as a robust, bench-stable phosphine ligand enabling efficient palladium-catalyzed cross-coupling reactions. Its sterically shielded bis(tert-butyl) and methyl-substituted aryl groups enhance catalyst longevity and promote high reactivity with challenging substrates, including sterically hindered and electron-deficient partners. Widely employed in Suzuki-Miyaura and Negishi couplings, it facilitates smooth reaction progress, simplifies purification, and supports scalable synthesis of complex pharmaceutical intermediates and functional materials.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 127, # 22 p. 8146 - 8149
  • Route2

    References

    • Angewandte Chemie - International Edition, , vol. 45, # 26 p. 4321 - 4326

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   10.6617
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   5

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