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CS-W001157 4
Total: USD 88.00

4,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)dibenzo[b,d]furan

  • CAS No. 409312-96-5

  • Cat. No. CS-0090591
  • Purity≥95%
  • MDL No.None

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

4,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)dibenzo[b,d]furan|CS-0090591

Structure of 409312-96-5

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General Information

  • CAS No. 409312-96-5
  • Cat. No. CS-0090591
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₂₆N₂O₃
  • Molecular Weight 390.47
  • Synonym(s) Oxazole, 2,2'-(4,6-dibenzofurandiyl)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4'S)- (9CI)
  • SMILES CC(C)[C@H]1COC(C2=CC=CC3=C2OC4=C3C=CC=C4C5=N[C@@H](C(C)C)CO5)=N1

Description

(S,S)-iPr-Dbfox is a bench-stable, sterically hindered chiral ligand designed for asymmetric catalysis. Featuring a rigid dihydroisoquinoline scaffold with isopropyl substituents, it delivers high enantioselectivity in palladium-catalyzed cross-coupling reactions. This ligand enables efficient C–C bond formation under mild conditions, particularly effective in Suzuki-Miyaura and Negishi transformations.

Application

(S,S)-iPr-Dbfox serves as a highly effective chiral ligand in asymmetric transition-metal catalysis, particularly in palladium-catalyzed cross-coupling reactions. Its robust iPr-substituted dibenzofuran scaffold provides excellent stereocontrol and bench stability, enabling high enantioselectivity in C–C bond formation. The ligand exhibits broad functional group tolerance and facilitates efficient catalyst turnover, making it a practical choice for the synthesis of complex chiral intermediates in medicinal chemistry and process development workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   56.32
  • LogP   5.1888
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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