CAS 4792-29-4

1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid

Description:

1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid, with the CAS number 4792-29-4, is a chemical compound characterized by its unique bicyclic structure, which includes a fused isobenzofuran moiety. This compound typically exhibits properties associated with both carboxylic acids and diketones, contributing to its reactivity and potential applications in organic synthesis. It is generally a solid at room temperature and may be soluble in organic solvents, depending on the specific conditions. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the diketone structure may allow for further transformations, such as condensation or cyclization reactions. Its derivatives and related compounds are of interest in medicinal chemistry and materials science due to their potential biological activity and utility in the development of novel materials. As with many organic compounds, handling should be done with care, considering safety data and potential hazards associated with its use.

Formula: C₉H₆O₄

InChI: InChI=1S/C9H6O4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H,10,11)

InChI key: InChIKey=QTWUWCFGWYYRRL-UHFFFAOYSA-N

SMILES: O=C1C=2C(=CC(C(O)=O)=CC2)CO1

Synonyms:

• 1,3-Dihydro-1-Oxoisobenzofuran-5-Carboxylic Acid
• 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid
• 1,4-Benzenedicarboxylic acid, (hydroxymethyl)-, γ-lactone
• 1-Oxo-1,3-Dihydro-2-Benzofuran-5-Carboxylic Acid
• 1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid
• 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1-oxo-
• 5-Phthalancarboxylic acid, 1-oxo-
• Phthalide-5-carboxylic acid

5-Isobenzofurancarboxylicacid, 1,3-dihydro-1-oxo-

CAS: 4792-29-4

Formula: C₉H₆O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 178.1415

Ref: IN-DA0037F6

5-Carboxyphthalide

CAS: 4792-29-4

5-Carboxyphthalide

Formula: C₉H₆O₄

Purity: 98%

Color and Shape: white solid

Molecular weight: 178.14154g/mol

Ref: 54-OR11405

5-Carboxyphthalide

CAS: 4792-29-4

5-Carboxyphthalide is a metastable compound that has been synthesized by dehydration of 5-carboxybenzaldehyde. It is an inhibitor of the enzyme enoyl-CoA reductase, which catalyzes the last step in the fatty acid synthesis pathway. The inhibition of this enzyme leads to decreased production of prostaglandins, which are important mediators in inflammation and pain. 5-Carboxyphthalide is also an enantiomer that can be used as a chiral probe for studying the molecular recognition process on enzymes. The chloride ion present in 5-carboxyphthalide can be replaced with either bromide or iodide. This substitution alters the electron density at various positions on the molecule, which may have an effect on its function as an inhibitor.

Formula: C₉H₆O₄

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 178.14 g/mol

Ref: 3D-FC70808

1-Oxo-1,3-dihydroisobenzofuran-5-carboxylic acid

CAS: 4792-29-4

Formula: C₉H₆O₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 178.143

Ref: 10-F237205

5-Carboxyphthalide

CAS: 4792-29-4

Formula: C₉H₆O₄

Molecular weight: 178.14

Ref: ST-EA-CP-E13024