![1,1-Dimethylethyl (R)-[2-[(methylsulfonyl)oxy]-1-phenylethyl]Carbamate](https://resource.bocsci.com/structure/102089-75-8.gif)
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| IUPAC Name: | [(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] methanesulfonate |
| Description: | 1,1-Dimethylethyl (R)-[2-[(methylsulfonyl)oxy]-1-phenylethyl]carbamate is a proposed intermediate in the synthesis of Elagolix-d6 Sodium Salt (E501016), which is the labelled analogue of Elagolix Sodium Salt (E501018), a novel uracil phenylethylamine that acts as potent human gonadotropin- releasing hormone receptor (hGnRH- R) antagonist. |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C14H21NO5S |
| Canonical SMILES: | CC(C)(C)OC(=O)NC(COS(=O)(=O)C)C1=CC=CC=C1 |
| InChI: | InChI=1S/C14H21NO5S/c1-14(2,3)20-13(16)15-12(10-19-21(4,17)18)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,15,16)/t12-/m0/s1 |
| InChI Key: | QMCZMSKKAHWYBJ-LBPRGKRZSA-N |
| Melting Point: | 105-108°C |
| Solubility: | Chloroform (Slightly, Sonicated), Dichloromethane; Ethyl Acetate; Methanol (Slig |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C Freezer |
| References: | Chen, C. et al. J. Med. Chem., 51, 7478 (2008). |
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