Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine

Name: Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine
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CAS No. 485394-22-7
Cat. No. CS-0145096
Molecule weight419.56
Purity≥97%
MDL No.None

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Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine|CS-0145096

Structure of 485394-22-7

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General Information

CAS No. 485394-22-7
Cat. No. CS-0145096
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₃₃N₃O₂
Molecular Weight 419.56
Synonym(s) None
SMILES CC(C)(C)[C@H]1COC(C2=CC=CC=C2NC3=CC=CC=C3C4=N[C@@H](C(C)(C)C)CO4)=N1

Description

Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine features a sterically hindered oxazoline scaffold that enhances stability and solubility in organic media. This chiral amine integrates seamlessly into asymmetric catalysis, offering robust performance under standard bench conditions. The tert-butyl group provides enhanced steric protection, minimizing decomposition pathways.

Application

Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine serves as a sterically hindered, bench-stable chiral ligand scaffold that facilitates asymmetric transition-metal catalysis. Its ortho-oxazoline groups enable robust coordination to palladium and nickel centers, supporting efficient cross-coupling reactions with broad functional group tolerance. The tert-butyl substituent enhances solubility and reduces aggregation, improving reproducibility in catalytic cycles. This compound functions as a modular building block for enantioselective C–C and C–heteroatom bond formations in synthetic and medicinal chemistry workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS09
Signal Word : Warning	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H410
Precautionary Statements : P273-P391-P501

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Computational Chemistry Data

TPSA 55.21
LogP 5.8132
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

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Bis(2-((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)phenyl)amine

CAS No. 485394-22-7

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