| Identification | Back Directory | [Name]
PHENYL TRIFLUOROMETHANESULFONATE | [CAS]
17763-67-6 | [Synonyms]
PHENYL TRIFLATE
Phenol triflate
Phenol trifluoromethanesulfonate
PHENYL TRIFLUOROMETHANESULFONATE
Trifluoromethylsulfonyloxybenzene
PhenylTrifluoromethanesulfonate>
Phenyl trifluoromethanesulfonate 98%
Trifluoromethanesulfonic acid phenyl ester
Methanesulfonic acid, 1,1,1-trifluoro-, phenyl ester
Trifluoromethanesulfonic Acid Phenyl Ester
Phenyl Triflate | [Molecular Formula]
C7H5F3O3S | [MDL Number]
MFCD00192399 | [MOL File]
17763-67-6.mol | [Molecular Weight]
226.17 |
| Chemical Properties | Back Directory | [Boiling point ]
99-100 °C60 mm Hg(lit.)
| [density ]
1.396 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.435(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [InChI]
InChI=1S/C7H5F3O3S/c8-7(9,10)14(11,12)13-6-4-2-1-3-5-6/h1-5H | [InChIKey]
GRJHONXDTNBDTC-UHFFFAOYSA-N | [SMILES]
C(F)(F)(F)S(OC1=CC=CC=C1)(=O)=O |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
36/37/38-34-24/25 | [Safety Statements ]
26-36-45-36/37/39 | [RIDADR ]
UN 2927 6.1/PG 2 | [WGK Germany ]
3
| [HazardClass ]
6.1, 8 | [HS Code ]
29049090 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Oral
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless Liquid.
| [Uses]
Phenyl trifluoromethanesulfonate (phenyl triflate) may be used in the following studies:
As an arylating agent for the asymmetric α-arylation of ketones catalyzed by Pd(dba)2 and difluorphos.
As a reactant in the one pot synthesis of carbazoles by palladium-catalyzed N-arylation of anilines with phenyl triflate followed by oxidative coupling.
Synthesis of N-(2,6-diarylbenzoyl)anilines by diarylation of benzanilides with phenyl triflate in the presence of palladium-based catalyst.
As an arylating agent in the synthesis of (R)-2-phenyl-2,3-dihydrofuran by the arylation of 2,3-dihydrofuran. | [Preparation]
Synthesis of Phenyl trifluoromethanesulfonate: The reaction of phenol (1.00 g, 10.6 mmol) with triflic anhydride as outlined in the general procedure provided phenyl trifluoromethanesulfonate as colorless oil (0.73 g, 30%).
1H NMR (400 MHz, CDCl3) δ 7.50 – 7.42 (m, 2H), 7.41 – 7.36 (m, 1H), 7.32 – 7.24 (m, 2H). | [General Description]
Phenyl trifluoromethanesulfonate (phenyl triflate) is an aryl fluorosulphonate. It has been synthesized by the reaction of phenol with fluorosulphonic anhydride. |
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