Cas no 66107-29-7 (4-Methoxyphenyl Trifluoromethanesulfonate)

4-Methoxyphenyl Trifluoromethanesulfonate is a versatile aryl triflate reagent commonly employed in organic synthesis and cross-coupling reactions. Its key advantages include high reactivity as an electrophile in Pd-catalyzed transformations, such as Suzuki-Miyaura and Heck couplings, due to the excellent leaving group properties of the triflate moiety. The methoxy substituent enhances electron density, facilitating selective functionalization of aromatic systems. This compound is particularly useful in constructing complex molecules, including pharmaceuticals and advanced materials, owing to its stability under various reaction conditions and compatibility with a wide range of catalysts. Its well-defined reactivity profile makes it a valuable intermediate in synthetic chemistry.
4-Methoxyphenyl Trifluoromethanesulfonate structure
66107-29-7 structure
Product Name:4-Methoxyphenyl Trifluoromethanesulfonate
CAS No:66107-29-7
MF:C8H7F3O4S
MW:256.198992013931
MDL:MFCD00209596
CID:396823
PubChem ID:87561034
Update Time:2025-05-28

4-Methoxyphenyl Trifluoromethanesulfonate Chemical and Physical Properties

Names and Identifiers

    • Methanesulfonic acid, trifluoro-, 4-methoxyphenyl ester
    • 4-Methoxyphenyl Trifluoromethanesulfonate
    • (4-methoxyphenyl) trifluoromethanesulfonate
    • 4-Methoxyphenyl Triflate
    • Trifluoromethanesulfonic Acid 4-Methoxyphenyl Ester
    • CS-0150370
    • M2044
    • D84257
    • ghl.PD_Mitscher_leg0.1324
    • 5788-41-0
    • PS-11204
    • 4-trifluoromethane-sulfonyloxyanisole
    • AKOS015916708
    • SY051190
    • 4-Methoxyphenyl trifluoromethanesulphonate
    • A835337
    • 4-Methoxyphenyltriflate
    • 66107-29-7
    • MFCD00209596
    • C8H7F3O4S
    • SCHEMBL1997269
    • DTXSID70973474
    • 4-METHOXYPHENYLTRIFLUOROMETHANESULFONATE
    • DTXCID801400926
    • MDL: MFCD00209596
    • Inchi: 1S/C8H7F3O4S/c1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11/h2-5H,1H3
    • InChI Key: XSTNIRWDULKNJE-UHFFFAOYSA-N
    • SMILES: S(C(F)(F)F)(=O)(=O)OC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 256.00200
  • Monoisotopic Mass: 256.00171436g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 311
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 61?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.416
  • Boiling Point: 92°C/3.5mmHg(lit.)
  • Flash Point: 113?°C
  • Refractive Index: 1.454
  • PSA: 60.98000
  • LogP: 3.00440
  • Solubility: Not available

4-Methoxyphenyl Trifluoromethanesulfonate Security Information

4-Methoxyphenyl Trifluoromethanesulfonate Pricemore >>

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4-Methoxyphenyl Trifluoromethanesulfonate Suppliers

Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:66107-29-7)4-Methoxyphenyl Trifluoromethanesulfonate
Order Number:A835337
Stock Status:in Stock
Quantity:25g/100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:33
Price ($):259.0/870.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:66107-29-7)4-Methoxyphenyl Trifluoromethanesulfonate
A835337
Purity:99%/99%
Quantity:25g/100g
Price ($):259.0/870.0
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