(3aR,8aS)-2-(2-(Diphenylphosphanyl)phenyl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole

Name: (3aR,8aS)-2-(2-(Diphenylphosphanyl)phenyl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole
Brand: ChemScene
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CAS No. 212312-33-9
Cat. No. CS-0145054
Purity≥97%
MDL No.None

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(3aR,8aS)-2-(2-(Diphenylphosphanyl)phenyl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole|CS-0145054

Structure of 212312-33-9

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Description

(R,S)-In-Phox is a chiral phosphine ligand featuring a bulky, electron-rich architecture that enhances catalytic efficiency in palladium-catalyzed cross-coupling reactions. This bench-stable ligand delivers high selectivity and reproducible yields under standard conditions, enabling robust C–C bond formation with diverse substrates.

Application

(R,S)-In-Phox serves as a robust, bench-stable chiral ligand for transition-metal-catalyzed asymmetric transformations, particularly in palladium- and rhodium-mediated reactions. Its modular structure enables high enantioselectivity in C–C bond formations, including allylic alkylation and hydrogenation processes. The ligand exhibits excellent functional group tolerance and facilitates straightforward purification, making it well-suited for iterative synthesis and process-scale applications in medicinal chemistry workflows.

General Information

CAS No. 212312-33-9
Cat. No. CS-0145054
Purity ≥97%
MDL No. None
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₂₂NOP
Molecular Weight 419.45
Synonym(s) (3aR,8aS)-2[2-(diphenylphosphanyl)phenyl]-3a,8a-dihydroindane[1,2-d]oxazole
SMILES C1(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=N[C@H]5[C@H](CC6=C5C=CC=C6)O1

Computational Chemistry Data

TPSA 21.59
LogP 4.8876
H_Acceptors 2
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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(3aR,8aS)-2-(2-(Diphenylphosphanyl)phenyl)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole

CAS No. 212312-33-9

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