2-Methoxyphenyl trifluoromethanesulfonate

Name: 2-Methoxyphenyl trifluoromethanesulfonate
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CAS No. 59099-58-0
Cat. No. CS-0197305
Purity98% GC
MDL No.None

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2-Methoxyphenyl trifluoromethanesulfonate|CS-0197305

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General Information

CAS No. 59099-58-0
Cat. No. CS-0197305
Purity 98% GC
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇F₃O₄S
Molecular Weight 256.20
Synonym(s) Trifluoromethanesulfonic Acid 2-Methoxyphenyl Ester
SMILES O=S(C(F)(F)F)(OC1=CC=CC=C1OC)=O

Description

2-Methoxyphenyl trifluoromethanesulfonate serves as a robust arylating agent in transition-metal-catalyzed cross-coupling reactions. The triflate leaving group enables efficient C–O bond formation under mild conditions, while the ortho-methoxy substituent enhances reactivity through electronic stabilization. This bench-stable compound facilitates precise synthesis of functionalized biaryls and heterocycles.

Application

2-Methoxyphenyl trifluoromethanesulfonate serves as a reliable aryl triflate reagent for palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate straightforward purification and integration into complex molecule synthesis, particularly in the construction of biaryl scaffolds and heterocyclic systems relevant to medicinal chemistry.

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 52.6
LogP 1.9236
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Sulfonate

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Synthesis Synthetic Reagents Aryne Precursors, Heteroaryne Precursors Benzyne Precursors

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2-Methoxyphenyl trifluoromethanesulfonate

CAS No. 59099-58-0

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