![(2S)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-4-methoxybenzoic Acid 2-[[4-(Trifluoromethoxy)phenyl]methoxy]propyl Ester](https://resource.bocsci.com/structure/1253202-36-6.gif)
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| IUPAC Name: | [(2S)-3-(2-chloro-4-nitroimidazol-1-yl)-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl] 4-methoxybenzoate |
| Description: | (2S)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-4-methoxybenzoic Acid 2-[[4-(Trifluoromethoxy)phenyl]methoxy]propyl Ester is an intermediate in the synthesis of novel anti-tuberculosis drug (S)-PA 824 (P122500). |
| Molecular Weight: | 529.85 |
| Molecular Formula: | C22H19ClF3N3O7 |
| Canonical SMILES: | COC1=CC=C(C=C1)C(=O)OCC(CN2C=C(N=C2Cl)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F |
| InChI: | InChI=1S/C22H19ClF3N3O7/c1-33-16-8-4-15(5-9-16)20(30)35-13-18(10-28-11-19(29(31)32)27-21(28)23)34-12-14-2-6-17(7-3-14)36-22(24,25)26/h2-9,11,18H,10,12-13H2,1H3/t18-/m0/s1 |
| InChI Key: | DTLVIHAPRHFDCQ-SFHVURJKSA-N |
| Solubility: | Chloroform, DCM, Ethyl Acetate, Methanol |
| Appearance: | Brown Gel |
| Storage: | Refrigerator |
| References: | Marsini, M. A., et al. J. Org. Chem., 75, 7479 (2010). |
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