N-[(11bR)-2,6-Di-9-anthracenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide

Name: N-[(11bR)-2,6-Di-9-anthracenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
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CAS No. 957790-95-3
Cat. No. CS-0031673
Purity≥97%
MDL No.None

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N-[(11bR)-2,6-Di-9-anthracenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide|CS-0031673

Structure of 957790-95-3

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General Information

CAS No. 957790-95-3
Cat. No. CS-0031673
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 C₄₉H₂₉F₃NO₅PS
Molecular Weight 831.79
Synonym(s) N-[(11bR)-2,6-di-9-anthracenyl-4-oxidodinaphtho[2,1-d
SMILES O=P1(NS(=O)(C(F)(F)F)=O)OC2=C(C3=C(C=CC=C4)C4=CC(C5=C(C=CC=C6)C6=CC7=C5C=CC=C7)=C3O1)C8=CC=CC=C8C=[C@]2[C@]9=C(C=CC=C%10)C%10=CC%11=C9C=CC=C%11

Description

This trifluoromethanesulfonamide derivative features a sterically encumbered dioxaphosphepin scaffold bearing anthracenyl groups, enabling robust conjugation in phosphorus-directed synthetic transformations. The electron-deficient sulfonamide moiety enhances reactivity in transition-metal-catalyzed couplings, while the bench-stable framework facilitates handling under standard conditions.

Application

N-[(11bR)-2,6-Di-9-anthracenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide serves as a sterically hindered, bench-stable phosphine oxide-based ligand precursor. Its rigid anthracene-substituted dioxaphosphepin scaffold enables controlled coordination in transition-metal catalysis, particularly in palladium-catalyzed cross-coupling reactions. The trifluoromethanesulfonyl group enhances solubility and facilitates purification, while the oxygenated phosphorus center provides stability and predictable reactivity in standard 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 81.7
LogP 13.9253
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

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N-[(11bR)-2,6-Di-9-anthracenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide

CAS No. 957790-95-3

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