(3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione

CAS: 13149-00-3

Ref. TR-H294030

Product Information

• Name: (3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione
• Synonyms: 1,3-Isobenzofurandione, hexahydro-, (3aR,7aS)-rel-, 1,2-Cyclohexanedicarboxylic anhydride, cis- (8CI), 1,3-Isobenzofurandione, hexahydro-, cis-, rel-(3aR,7aS)-Hexahydro-1,3-isobenzofurandione, cis-1,2-Cyclohexanedicarboxylic anhydride, cis-Cyclohexane-1,2-dicarboxylic acid anhydride, cis-Hexahydrophthalic anhydride
• Brand: TRC

Description

Applications (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.
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);

Chemical properties

• Molecular weight: 154.16
• Formula: C₈H₁₀O₃
• Color/Form: Neat
• 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: InChIKey=MUTGBJKUEZFXGO-OLQVQODUSA-N
• SMILES: O=C1OC(=O)[C@@H]2CCCC[C@H]12