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CAS 1694-82-2

:

rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione

Description:
Rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione, with CAS number 1694-82-2, is a chemical compound characterized by its unique bicyclic structure, which includes a fused isobenzofuran moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and a methyl group at the 5-position, contributing to its overall stability and reactivity. The stereochemistry is defined by the specific arrangement of substituents around the chiral centers at positions 3a and 7a, which influences its biological activity and interaction with other molecules. Typically, compounds of this nature may exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. Additionally, the presence of the dione functional groups suggests potential reactivity in various chemical transformations, including nucleophilic additions or condensation reactions. Overall, the structural characteristics of this compound contribute to its potential applications in various fields, including pharmaceuticals and organic synthesis.
Formula:C9H10O3
InChI:InChI=1/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3/t6-,7+/s2
InChI key:InChIKey=OEMSKMUAMXLNKL-JHPDDGAFNA-N
SMILES:O=C1[C@@]2([C@](C(=O)O1)(CC=C(C)C2)[H])[H]
Synonyms:
  • (3aR,7aS)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • (3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-, (3aR,7aS)-rel-
  • 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-, cis-
  • 4-Cyclohexene-1,2-dicarboxylic anhydride, 4-methyl-, cis-
  • 4-Methyl-cis-4-cyclohexene-1,2-decarboxylic anhydride
  • 4-Methyl-cis-4-cyclohexene-1,2-dicarboxylic anhydride
  • Maleic anhydride and isoprene adduct
  • cis-1,2,3,6-Tetrahydro-4-methylphthalic acid anhydride
  • cis-4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
  • rel-(3aR,7aS)-3a,4,7,7a-Tetrahydro-5-methyl-1,3-isobenzofurandione
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