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CS-W001157 4
Total: USD 88.00

(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole

  • CAS No. 1006708-91-3

  • Cat. No. CS-0104337
  • Molecule weight591.45
  • Purity≥97%
  • MDL No.None

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

(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole|CS-0104337

Structure of 1006708-91-3

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General Information

  • CAS No. 1006708-91-3
  • Cat. No. CS-0104337
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₈H₂₃F₉NOP
  • Molecular Weight 591.45
  • Synonym(s) (R)-2-(2-(Bis(4-(trifluoromethyl)phenyl)phosphino)-5-(trifluoromethyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole
  • SMILES FC(F)(F)C1=CC(C2=N[C@H](C(C)(C)C)CO2)=C(P(C3=CC=C(C(F)(F)F)C=C3)C4=CC=C(C(F)(F)F)C=C4)C=C1

Description

(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole features a chiral oxazole scaffold with a sterically shielded tert-butyl group and a bulky bis(trifluoromethylphenyl)phosphine moiety. This configuration enhances stability and facilitates selective coordination in palladium-catalyzed cross-coupling reactions under standard conditions.

Application

(4R)-2-[2-[Bis[4-(trifluoromethyl)phenyl]phosphino]-5-(trifluoromethyl)phenyl]-4-tert-butyl-4,5-dihydrooxazole serves as a robust, bench-stable phosphine ligand in palladium-catalyzed cross-coupling reactions. Its electron-rich, sterically encumbered structure enhances catalyst activity and stability, particularly in Suzuki-Miyaura and Buchwald-Hartwig couplings. The trifluoromethyl groups improve oxidative stability and solubility in organic media, while the dihydrooxazole ring provides a rigid scaffold that maintains ligand geometry under reaction conditions. Ideal for complex molecule synthesis requiring high functional group tolerance and reproducible yields.

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

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Computational Chemistry Data

  • TPSA   21.59
  • LogP   7.6927
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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