(11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin

Name: (11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin
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CAS No. 1170736-59-0
Cat. No. CS-0084537
Purity≥97%
MDL No.None

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(11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin|CS-0084537

Structure of 1170736-59-0

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General Information

CAS No. 1170736-59-0
Cat. No. CS-0084537
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 C₃₆H₂₉O₄P
Molecular Weight 556.59
Synonym(s) (S)-3,3'-Bis[3,5-dimethylphenyl]-1,1'-binapthyl-2,2'-diyl hydrogenphosphate
SMILES O=P1(OC2=C(C3=CC=CC=C3C=C2C4=CC(C)=CC(C)=C4)C5=C(C(C6=CC(C)=CC(C)=C6)=CC7=CC=CC=C57)O1)O

Description

This sterically encumbered dioxaphosphepin features a hydroxylated oxide bridge and two 3,5-dimethylphenyl substituents at the 2,6-positions, delivering enhanced stability and solubility in polar organic media. The chiral (11bS) configuration ensures high stereoselectivity in asymmetric catalysis applications.

Application

(11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin serves as a sterically hindered, bench-stable phosphine oxide scaffold that facilitates stereoselective transformations in catalytic systems. Its rigid, electron-rich architecture enables efficient ligand coordination in transition-metal catalysis and supports functional group tolerance in multistep syntheses. The molecule’s defined stereochemistry and oxidative stability make it a reliable building block for asymmetric synthesis and catalyst development.

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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Computational Chemistry Data

TPSA 55.76
LogP 10.0993
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Key Words

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(11bS)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxy-4-oxide-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin

CAS No. 1170736-59-0

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