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CS-W001157 4
Total: USD 88.00

(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Dihydro-2H-inden-2-ylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]

  • CAS No. 188780-28-1

  • Cat. No. CS-0103994
  • Purity≥97%
  • MDL No.None

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

(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Dihydro-2H-inden-2-ylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]|CS-0103994

Structure of 188780-28-1

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General Information

  • CAS No. 188780-28-1
  • Cat. No. CS-0103994
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₂₄N₂O₂
  • Molecular Weight 432.51
  • Synonym(s) (3aS,3a'S,8aR,8a'R)-2,2'-(2,3-Dihydro-1H-indene-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)
  • SMILES C1(CC(C2=N[C@@H]3[C@@H](CC4=C3C=CC=C4)O2)(C5=N[C@@H](C(C=CC=C6)=C6C7)[C@@H]7O5)C8)=C8C=CC=C1

Description

This chiral bis-indeno-oxazole scaffold features a rigid, polycyclic architecture with defined stereocenters, enabling precise spatial control in asymmetric synthesis. The indenylidene bridge imparts extended π-conjugation and enhanced stability, while the oxazole rings serve as robust heteroaromatic handles for metal coordination or further functionalization under standard conditions.

Application

This compound serves as a robust chiral scaffold for asymmetric synthesis, featuring a rigid, fused indeno-oxazole core with defined stereochemistry at the 3a and 8a positions. Its stability under standard reaction conditions and tolerance to diverse functional groups enable reliable use in catalytic asymmetric transformations. The dihydroindene bridge enhances conformational rigidity, facilitating precise stereocontrol in transition-metal-catalyzed reactions. Functions effectively as a ligand precursor or building block in the construction of complex heterocyclic systems relevant to medicinal chemistry and materials science.

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.18
  • LogP   4.961
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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