(4R,4'R,5S,5'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)

Name: (4R,4'R,5S,5'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
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CAS No. 1908437-58-0
Cat. No. CS-0097899
Molecule weight751.01
Purity≥97%
MDL No.None

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(4R,4'R,5S,5'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)|CS-0097899

Structure of 1908437-58-0

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General Information

CAS No. 1908437-58-0
Cat. No. CS-0097899
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅₃H₅₄N₂O₂
Molecular Weight 751.01
Synonym(s) (4R,4'R,5S,5'S)- 2,2'-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4,5-diphenyl-Oxazole
SMILES CC(C)(C)C(C=C1)=CC=C1CC(C2=N[C@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O2)(C5=N[C@H](C6=CC=CC=C6)[C@H](C7=CC=CC=C7)O5)CC8=CC=C(C(C)(C)C)C=C8

Description

This chiral oxazole derivative features a rigid, sterically encumbered backbone derived from tert-butyl-substituted aryl groups, enabling high enantioselectivity in asymmetric catalysis. The diphenyl-substituted oxazole rings provide electron-rich sites for coordination, while the dihydrooxazole framework ensures stability under standard reaction conditions.

Application

This chiral bis-oxazole scaffold serves as a robust, sterically encumbered ligand platform for asymmetric catalysis and supramolecular assembly. Its rigid, C2-symmetric architecture enables precise spatial control in transition metal complexes, while the tert-butyl-substituted aryl groups confer enhanced solubility and thermal stability. The dihydrooxazole rings exhibit excellent bench stability and tolerate a range of functional groups, facilitating modular synthesis and purification via standard chromatographic methods.

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 43.18
LogP 12.8758
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 10

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(4R,4'R,5S,5'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)

CAS No. 1908437-58-0

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