(4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)

Name: (4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
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CAS No. 1373357-05-1
Cat. No. CS-0097894
Purity≥95%
MDL No.None

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(4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)|CS-0097894

Structure of 1373357-05-1

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General Information

CAS No. 1373357-05-1
Cat. No. CS-0097894
Purity ≥95%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₅H₅₀N₂O₂
Molecular Weight 530.78
Synonym(s) (4S,4'S)-2,2'-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4-(1-methylethyl)-Oxazole
SMILES CC(C)[C@H]1COC(C(CC2=CC=C(C(C)(C)C)C=C2)(C3=N[C@@H](C(C)C)CO3)CC4=CC=C(C(C)(C)C)C=C4)=N1

Description

(S,S)-BtbbiPr-Sabox is a chiral, bench-stable ligand featuring a sterically hindered bis(tert-butyl)benzene backbone paired with a sulfonamide moiety. This configuration enables effective coordination in asymmetric catalysis, delivering high enantioselectivity in transition metal-mediated transformations. The robust scaffold ensures compatibility under standard reaction conditions.

Application

(S,S)-BtbbiPr-Sabox serves as a highly effective chiral ligand in transition-metal-catalyzed asymmetric reactions, enabling enantioselective C–C and C–heteroatom bond formations. Its robust bis(tert-butyl) substituted biaryl backbone confers excellent stereochemical control, high thermal stability, and compatibility with palladium- and nickel-catalyzed cross-couplings. The ligand facilitates efficient catalysis under mild conditions, simplifies purification, and demonstrates broad functional group tolerance in synthetic 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 43.18
LogP 7.9598
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 8

Key Words

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(4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-isopropyl-4,5-dihydrooxazole)

CAS No. 1373357-05-1

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