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(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)

  • CAS No. 160191-66-2

  • Cat. No. CS-0097722
  • Purity≥98%
  • MDL No.None

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

(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)|CS-0097722

Structure of 160191-66-2

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General Information

  • CAS No. 160191-66-2
  • Cat. No. CS-0097722
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₃₄N₂O₂
  • Molecular Weight 322.49
  • Synonym(s) None
  • SMILES CCC(C1=N[C@@H](C(C)(C)C)CO1)(C2=N[C@@H](C(C)(C)C)CO2)CC

Description

This chiral dihydromyrcene-based oxazole derivative features a rigid, sterically defined scaffold ideal for asymmetric synthesis. The (4S,4'S)-configured backbone and tert-butyl-substituted heterocycles confer enhanced stability and selective reactivity in transition metal-catalyzed transformations.

Application

(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole) serves as a chiral, bis-oxazoline scaffold with enhanced steric bulk from tert-butyl groups. It functions as a robust ligand in asymmetric catalysis, enabling high enantioselectivity in metal-mediated transformations. The dihydrooxazole rings exhibit stability under standard reaction conditions, while the rigid pentane-based linker provides defined spatial orientation. Its bench-stable nature and compatibility with diverse substrates make it suitable for iterative synthesis workflows in medicinal chemistry and catalyst development.

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   4.4796
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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