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CS-W001157 4
Total: USD 88.00

(S)-2-(2-(Bis(3,5-bis(trifluoromethyl)phenyl)phosphanyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole

  • CAS No. 1092491-37-6

  • Cat. No. CS-0133315
  • Purity≥98%
  • MDL No.None

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

(S)-2-(2-(Bis(3,5-bis(trifluoromethyl)phenyl)phosphanyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole|CS-0133315

Structure of 1092491-37-6

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General Information

  • CAS No. 1092491-37-6
  • Cat. No. CS-0133315
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₂₂F₁₂NOP
  • Molecular Weight 659.45
  • Synonym(s) None
  • SMILES FC(F)(F)C1=CC(C(F)(F)F)=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=C(C4=N[C@@H](C(C)(C)C)CO4)C=CC=C3)=C1

Description

This chiral phosphine ligand features a sterically hindered, electron-rich bis(trifluoromethyl)phenylphosphanyl group paired with a dihydrooxazole scaffold and tert-butyl substituent. The configuration at the 2-position ensures high enantioselectivity in palladium-catalyzed cross-coupling reactions. Its bench-stable nature enables reliable performance under standard conditions.

Application

(S)-2-(2-(Bis(3,5-bis(trifluoromethyl)phenyl)phosphanyl)phenyl)-4-(tert-butyl)-4,5-dihydrooxazole serves as a robust, bench-stable ligand in palladium-catalyzed cross-coupling reactions. Its sterically encumbered bis(trifluoromethyl)phenylphosphine moiety enhances oxidative stability and promotes efficient catalytic turnover, while the dihydrooxazole ring provides structural rigidity and favorable coordination geometry. This ligand enables high-yielding couplings under mild conditions with broad functional group tolerance.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   21.59
  • LogP   8.7115
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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