N-((11bS)-2,6-di(naphthalen-1-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide

Name: N-((11bS)-2,6-di(naphthalen-1-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
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CAS No. 1226907-33-0
Cat. No. CS-0092989
Purity≥95%
MDL No.None

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N-((11bS)-2,6-di(naphthalen-1-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide|CS-0092989

Structure of 1226907-33-0

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General Information

CAS No. 1226907-33-0
Cat. No. CS-0092989
Purity ≥95%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄₁H₂₅F₃NO₅PS
Molecular Weight 731.67
Synonym(s) N-[(11bR)-2,6-Di-1-naphthalenyl-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide
SMILES O=P1(NS(=O)(C(F)(F)F)=O)OC2=[C@]([C@]3=C(C=CC=C4)C4=CC(C5=C6C=CC=CC6=CC=C5)=C3O1)C7=CC=CC=C7C=C2C8=C(C=CC=C9)C9=CC=C8

Description

This trifluoromethanesulfonamide derivative features a sterically encumbered dioxaphosphepin scaffold with dual naphthyl substituents, enabling robust phosphorus-centered reactivity. The electron-deficient sulfonamide group enhances stability and facilitates selective functionalization in transition-metal-catalyzed transformations.

Application

N-((11bS)-2,6-di(naphthalen-1-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide serves as a highly stable, bench-accessible phosphine oxide-based ligand precursor. Its rigid, polycyclic architecture imparts excellent stereochemical control in transition metal-catalyzed cross-coupling reactions, particularly Pd-mediated C–C bond formations. The trifluoromethanesulfonyl group enhances solubility and facilitates downstream functionalization while maintaining compatibility with diverse reaction conditions.

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-H413
Precautionary Statements : P264-P273-P280-P302+P352-P362-P501

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Computational Chemistry Data

TPSA 81.7
LogP 11.6189
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 4

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N-((11bS)-2,6-di(naphthalen-1-yl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide

CAS No. 1226907-33-0

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