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157904-67-1

157904-67-1 Structure

157904-67-1 Structure
IdentificationBack Directory
[Name]

(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyl-Oxazole
[CAS]

157904-67-1
[Synonyms]

(4R,4'R,5S,5'S)-
(R,S)-BisPh-propabBox
(4R,4μR,5S,5μS)-2,2μ-(1-Methylethylidene
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene 95%
2,2-Bis[2-(4R,5S-diphenyl-1,3-oxazolinyl)]propane, 95%
(4R,4’R,5S,5’S)-2,2’-(Propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
(4R,4’R,5S,5’S)-2,2’-(Propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyl-Oxazole
(4R,4''R,5S,5''S)-2,2''-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole]
Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4,5-diphenyl-, (4R,4'R,5S,5'S)-
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole],99%e.e.
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole], 98%, (99% ee)
[Molecular Formula]

C33H30N2O2
[MDL Number]

MFCD24849939
[MOL File]

157904-67-1.mol
[Molecular Weight]

486.6
Chemical PropertiesBack Directory
[Melting point ]

164-169°C
[Boiling point ]

606.7±55.0 °C(Predicted)
[density ]

1.16±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

4.33±0.70(Predicted)
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29349990
Hazard InformationBack Directory
[Uses]

(4R,4′R,5S,5′S)-2,2′-(1-Methylethylidene) or (4S,5R)-Bis-Phbox) can be used as a ligand:
  • To prepare selective exo-catalysts for enantioselective 1,3-dipolar cycloaddition reactions.
  • In the asymmetric aminooxygenation of alkenes in the presence of tetramethylaminopyridyl radical (TEMPO) as an oxidant and copper(II) triflate as a catalyst.
  • In asymmetric aminofluorination of olefins using an iron catalyst.

This chiral Box ligand was most recently shown to mediate an asymmetric aminofluorination of olefins utlizing Xtalfuor-E (719439) and TREAT-HF (344648). The resulting cyclic carbamates can be readily converted into their concomitant beta-fluoro amino acids.
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