N-Phenylbis(trifluoromethanesulphonimide)
N-Phenylbis(trifluoromethanesulphonimide)
CAS: 37595-74-7
Molecular Formula: C8H5F6NO4S2
N-Phenylbis(trifluoromethanesulphonimide) - Names and Identifiers
| Name | N-Phenylbis(trifluoromethanesulphonimide) |
| Synonyms | phenyltrifluoromethanesulfonimide N-PHENYLTRIFLUOROMETHANESULFONIMIDE N-PHENYLTRIFLUOROMETHANESULPHONIMIDE N-Phenyltrifluoromethanesulphonimide N,N-Bis(trifluoromethylsulfonyl)aniline N,N-BIS(TRIFLUOROMETHYLSULFONYL)ANILINE N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE) N-PHENYLBIS(TRIFLUOROMETHANESULPHONIMIDE) N-Phenylbis(trifluoromethanesulphonimide) Phenyl triflimide~N-Phenyltrifluoromethanesulphonimide N-Phenylbis(trifluoromethanesulphonimide), Phenyl triflimide 1,1,1-trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide 1,1,1-TRIFLUORO-N-PHENYL-N-[(TRIFLUOROMETHYL)SULFONYL]METHANESULFONAMIDE N,N-Bis(trifluoromethanesulphonyl)aniline~Phenyl triflimide~N-Phenyltrifluoromethanesulphonimide |
| CAS | 37595-74-7 |
| EINECS | 609-445-0 |
| InChI | InChI=1/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H |
| InChIKey | DIOHEXPTUTVCNX-UHFFFAOYSA-N |
N-Phenylbis(trifluoromethanesulphonimide) - Physico-chemical Properties
| Molecular Formula | C8H5F6NO4S2 |
| Molar Mass | 357.25 |
| Density | 1.766±0.06 g/cm3(Predicted) |
| Melting Point | 100-102°C(lit.) |
| Boling Point | 305.3±52.0 °C(Predicted) |
| Flash Point | 138.442°C |
| Solubility | Soluble in methanol. Slightly soluble in chloroform and ethyl acetate. |
| Vapor Presure | 0.001mmHg at 25°C |
| Appearance | White to off-white crystal |
| Color | White or colorless |
| BRN | 1269141 |
| pKa | -13.12±0.50(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Stability | Moisture Sensitive |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.488 |
| MDL | MFCD00000404 |
| Use | Trifluoromethyl sulfonylation (Triflating) reagent. |
N-Phenylbis(trifluoromethanesulphonimide) - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 21 |
| TSCA | No |
| HS Code | 29242100 |
| Hazard Class | IRRITANT |
N-Phenylbis(trifluoromethanesulphonimide) - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| Introduction | N-phenyl bis (trifluoromethane sulfonyl) imine is a kind of N-phenyl-bis (perfluoroalkyl sulfonyl) imine, N-phenyl-bis (perfluoroalkyl sulfonyl) imine is one of the commonly used perfluoroalkyl sulfonation reagents, which is generally used for the perfluoroalkyl sulfonation reaction of phenolic hydroxyl, amino and enol, it has high reactivity and excellent selectivity. |
| Use | N-phenylbis (trifluoromethane sulfonyl) imine is used for enantioselective synthesis of β-amino acids through Mannich reaction. It is used to synthesize sphingosine 1-phosphate -1 receptor agonist and can be used in pharmaceutical applications. |
| Application | N-phenyldifluoromethylsulfonimide is used as a pharmaceutical intermediate and an OLED intermediate. |
| preparation method | 2L dichloromethane, 186g(2.0mol) aniline, 4.88g(0.04mol)4-dimethylaminopyridine (DMAP) and 444g(4.4mol) triethylamine are added to the reactor equipped with thermometer, distillation device and mechanical stirring. when the vacuum of the reactor is pumped to-0.095MPa and cooled to -40 ℃, 665g(4.4mol) of trifluoromethylsulfonyl fluoride gas was introduced, and then stirred at a reaction temperature of -20 ℃ ~ 0 ℃ and a reaction pressure of 0.02MPa ~ 0.1MPa. After 6 hours of reaction, the excess trifluoromethylsulfonyl fluoride gas in the reactor was released for cooling and collection. After being placed inside the reactor at normal pressure, 500mL of water was added and separated, and the organic phase was heated to 40 ℃ for distillation of dichloromethane to obtain a light yellow solid; the light yellow solid was recrystallized with toluene to obtain 650g white crystals with 91.0% yield. |
Last Update：2024-04-10 22:29:15
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