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| IUPAC Name: | (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
| Description: | (3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione is a reagent used in the synthesis of Pregabalin (P704800), a GABA analogue used as an anticonvulsant. Also used to prepare P2X7 receptor antagonists. |
| Molecular Weight: | 154.16 |
| Molecular Formula: | C8H10O3 |
| Canonical SMILES: | C1CCC2C(C1)C(=O)OC2=O |
| InChI: | InChI=1S/C8H10O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h5-6H,1-4H2/t5-,6+ |
| InChI Key: | MUTGBJKUEZFXGO-OLQVQODUSA-N |
| Melting Point: | 36 - 38°C |
| Solubility: | Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Low-Melting Solid |
| Storage: | Refrigerator, under inert atmosphere |
| References: | Taylor, C.P., at al. Epilepsy Res., 14, 11 (1993), Field, M.J., et al. Pain, 80, 391 (1999); Eur. J. Org. Chem., 2013, 4495 (2013); Yang, H. et al. Chinese. Chem. Lett., 24, 553 (2013). |
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