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| IUPAC Name: | [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate |
| Description: | (R)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl p-Toluenesulfonate is the unlabeled form of (R)-2,2-Dimethyl-1,3-dioxolan-4-ylmethyl-d2 p-Toluenesulfonate (D469556), which is an intermediate used in the synthesis of (S)-PA 824-d4 (P122502), a labelled novel anti-tuberculosis drug. |
| Molecular Weight: | 286.34 |
| Molecular Formula: | C13H18O5S |
| Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(C)C |
| InChI: | InChI=1S/C13H18O5S/c1-10-4-6-12(7-5-10)19(14,15)17-9-11-8-16-13(2,3)18-11/h4-7,11H,8-9H2,1-3H3/t11-/m1/s1 |
| InChI Key: | SRKDUHUULIWXFT-LLVKDONJSA-N |
| Solubility: | Dichloromethane; Chloroform; Ethyl Acetate; Methanol; DMF |
| Appearance: | Pale Brown Oil |
| Storage: | Refrigerator |
| References: | Diacon, A.H. et al. Antimicrob. Anents Chemother., 54, 3402 (2010); Dogra, M. et al. Br. J. Pharmacol., 162, 226 (2010); Ginsberg, A.M. et al. Antimicrob. Agents Chemother., 53, 3720 (2009). |
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