![N-[4-Cyano-2-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide](https://resource.bocsci.com/structure/1375105-27-3.gif)
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| IUPAC Name: | N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide |
| Description: | N-[4-Cyano-2-(trifluoromethyl)phenyl]-2-methyl-2-oxiranecarboxamide is a useful intermediate in the preparation of bicalutamide, enzalutamide and enobosarm derivatives carrying pentafluorosulfanyl (SF5) and pentafluoroethyl (C2F5) substituents which are potential anti-tumor drugs.Positional isomer of C987585 |
| Molecular Weight: | 270.21 |
| Molecular Formula: | C12H9F3N2O2 |
| Canonical SMILES: | CC1(CO1)C(=O)NC2=C(C=C(C=C2)C#N)C(F)(F)F |
| InChI: | InChI=1S/C12H9F3N2O2/c1-11(6-19-11)10(18)17-9-3-2-7(5-16)4-8(9)12(13,14)15/h2-4H,6H2,1H3,(H,17,18) |
| InChI Key: | OHKOIYIVNKTDSA-UHFFFAOYSA-N |
| Melting Point: | 93-96°C |
| Solubility: | Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Inert atmosphere |
| References: | Pertusati, F., et al. Eur. J. Med. Chem., 180, 1 (2019); Bassetto, M., et al. Eur. J. Med. Chem., 118, 230 (2016). |
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