2,2'-(1-Benzyl-2-phenylethylidene)bis((4S)-4-tert-butyl-4,5-dihydro-2-oxazole)

Name: 2,2'-(1-Benzyl-2-phenylethylidene)bis((4S)-4-tert-butyl-4,5-dihydro-2-oxazole)
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CAS No. 319489-90-2
Cat. No. CS-0097885
Molecule weight446.62
Purity≥97%
MDL No.None

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2,2'-(1-Benzyl-2-phenylethylidene)bis((4S)-4-tert-butyl-4,5-dihydro-2-oxazole)|CS-0097885

Structure of 319489-90-2

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General Information

CAS No. 319489-90-2
Cat. No. CS-0097885
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₃₈N₂O₂
Molecular Weight 446.62
Synonym(s) Oxazole, 2,2'-[2-phenyl-1-(phenylmethyl)ethylidene]bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4S,4'S)- (9CI)
SMILES CC(C)(C)[C@H]1COC(C(CC2=CC=CC=C2)(C3=N[C@@H](C(C)(C)C)CO3)CC4=CC=CC=C4)=N1

Description

This chiral bis-oxazole features a rigid, sterically encumbered scaffold with two (4S)-4-tert-butyl-4,5-dihydro-2-oxazole units linked by a benzyl-substituted ethylidene bridge. The extended π-system and defined stereochemistry enable precise molecular recognition in asymmetric synthesis and supramolecular applications.

Application

This chiral bis-oxazole serves as a robust, bench-stable ligand scaffold for asymmetric catalysis, enabling stereocontrolled C–C and C–X bond formations. Its rigid, sterically encumbered architecture facilitates high enantioselectivity in transition-metal-catalyzed reactions, while the tert-butyl groups enhance solubility and reduce aggregation. The benzylphenyl substituent provides structural rigidity and orthogonal functionalization potential, making it ideal for modular catalyst design and solid-phase synthesis applications.

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 6.145
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 6

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2,2'-(1-Benzyl-2-phenylethylidene)bis((4S)-4-tert-butyl-4,5-dihydro-2-oxazole)

CAS No. 319489-90-2

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