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| IUPAC Name: | 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide |
| Description: | N,N-Bis(trifluoromethanesulfonyl)aniline (CAS# 37595-74-7) is used in the enantioselective synthesis of β-amino acids via the Mannich reaction. Used in the synthesis of sphingosine 1-phosphate-1 receptor agonists useful in pharmaceutical application. |
| Molecular Weight: | 357.25 |
| Molecular Formula: | C8H5F6NO4S2 |
| Canonical SMILES: | C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F |
| InChI: | InChI=1S/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 |
| InChI Key: | DIOHEXPTUTVCNX-UHFFFAOYSA-N |
| Boiling Point: | 305.3 °C at 760 mmHg |
| Density: | 1.766 g/cm3 |
| LogP: | 4.35380 |
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(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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