CAS 77133-05-2

Methyl tetrahydro-4,4-dimethyl-3-oxo-2-furancarboxylate

Description:

Methyl tetrahydro-4,4-dimethyl-3-oxo-2-furancarboxylate, identified by its CAS number 77133-05-2, is an organic compound characterized by its furan ring structure, which is a five-membered aromatic ring containing oxygen. This compound features a tetrahydrofuran moiety, indicating it has undergone hydrogenation, resulting in a saturated cyclic ether. The presence of a carboxylate group suggests it has acidic properties, while the methyl ester functionality indicates it can participate in esterification reactions. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic characteristics. Methyl tetrahydro-4,4-dimethyl-3-oxo-2-furancarboxylate may have applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, owing to its unique structural features that can facilitate various chemical reactions. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₈H₁₂O₄

InChI: InChI=1S/C8H12O4/c1-8(2)4-12-5(6(8)9)7(10)11-3/h5H,4H2,1-3H3

InChI key: InChIKey=GFQBPXVIQPPCKO-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1C(=O)C(C)(C)CO1

Synonyms:

• 2-Furancarboxylic acid, tetrahydro-4,4-dimethyl-3-oxo-, methyl ester
• Methyl tetrahydro-4,4-dimethyl-3-oxo-2-furancarboxylate