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CS-W001157 4
Total: USD 88.00

(S,R)-BisPh-cybBox

  • CAS No. 2634687-63-9

  • Cat. No. CS-0104027
  • Purity≥97%
  • MDL No.None

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

(S,R)-BisPh-cybBox|CS-0104027

Structure of 2634687-63-9

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General Information

  • CAS No. 2634687-63-9
  • Cat. No. CS-0104027
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₆H₃₄N₂O₂
  • Molecular Weight 526.67
  • Synonym(s) (4S,4'S,5R,5'R)-2,2'-(Cyclohexane-1,1-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
  • SMILES [C@H]1(C2=CC=CC=C2)OC(C3(CCCCC3)C4=N[C@@H](C5=CC=CC=C5)[C@@H](C6=CC=CC=C6)O4)=N[C@H]1C7=CC=CC=C7

Description

(S,R)-BisPh-cybBox features a chiral, bis-phenyl-substituted cyano-bridged box framework that enables selective recognition of anionic guests through complementary hydrogen bonding and π-stacking interactions. This rigid, well-defined cavity enhances binding affinity in polar solvents while maintaining structural integrity under standard handling conditions.

Application

(S,R)-BisPh-cybBox serves as a highly effective chiral ligand in transition-metal-catalyzed asymmetric synthesis, enabling enantioselective C–C and C–heteroatom bond formations. Its rigid, sterically defined cavity enhances enantiocontrol in palladium- and nickel-catalyzed cross-couplings, while demonstrating excellent bench stability and compatibility with common reaction conditions. Ideal for constructing complex chiral scaffolds in medicinal chemistry and process development workflows.

Safety Information

Download SDS
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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.18
  • LogP   8.7595
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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