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

Name: 4,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)dibenzo[b,d]furan
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CAS No. 409312-96-5
Cat. No. CS-0090591
Purity≥95%
MDL No.None

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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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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.

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

Computational Chemistry Data

TPSA 56.32
LogP 5.1888
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 4

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

CAS No. 409312-96-5

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