(S)-4-((S)-sec-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

Name: (S)-4-((S)-sec-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
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CAS No. 2634687-75-3
Cat. No. CS-0199065
Molecule weight387.45
Purity≥97%
MDL No.None

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(S)-4-((S)-sec-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole|CS-0199065

Structure of 2634687-75-3

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General Information

CAS No. 2634687-75-3
Cat. No. CS-0199065
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₅H₂₆NOP
Molecular Weight 387.45
Synonym(s) None
SMILES CC[C@@H](C)[C@@](CO1)([H])N=C1C2=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=CC=C2

Description

This chiral oxazole features a (S)-sec-butyl group and a diphenylphosphino-substituted phenyl moiety, enabling its use in asymmetric catalysis. The rigid, electron-rich framework supports efficient coordination to transition metals, delivering high enantioselectivity in palladium- and nickel-catalyzed cross-coupling reactions under standard conditions.

Application

(S)-4-((S)-sec-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole serves as a robust chiral ligand scaffold in transition metal catalysis, particularly in palladium-catalyzed cross-coupling reactions. Its rigid, sterically defined oxazoline core and diphenylphosphino group enable high enantioselectivity and catalyst stability under standard reaction conditions. The sec-butyl substituent enhances solubility and modulates steric bulk, facilitating efficient purification and consistent performance in asymmetric synthesis 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 21.59
LogP 4.6363
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 6

Key Words

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(S)-4-((S)-sec-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole

CAS No. 2634687-75-3

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