CAS 18398-73-7

4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester

Description:

4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester, commonly referred to as methyl 4-oxo-4H-1-benzopyran-2-carboxylate, is an organic compound characterized by its benzopyran structure, which consists of a fused benzene and pyran ring. This compound features a carboxylic acid functional group that has been esterified with methanol, resulting in a methyl ester. The presence of the keto group (4-oxo) contributes to its reactivity and potential applications in organic synthesis. Typically, compounds of this nature exhibit properties such as moderate solubility in organic solvents and may show biological activity, including antioxidant or anti-inflammatory effects. The molecular structure allows for various chemical modifications, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Its CAS number, 18398-73-7, is a unique identifier that facilitates the tracking and study of this compound in scientific literature and regulatory databases. Overall, this compound is of interest in both synthetic chemistry and potential therapeutic applications.

Formula: C₁₁H₈O₄

InChI: InChI=1S/C11H8O4/c1-14-11(13)10-6-8(12)7-4-2-3-5-9(7)15-10/h2-6H,1H3

InChI key: InChIKey=WNVKMIHNAHIVDP-UHFFFAOYSA-N

SMILES: O=C1C=2C(OC(C(OC)=O)=C1)=CC=CC2

Synonyms:

• 4H-1-Benzopyran-2-carboxylic acid, 4-oxo-, methyl ester
• Chromone-2-carboxylic acid methyl ester
• Methyl 4-oxo-4H-1-benzopyran-2-carboxylate
• Methyl 4-oxobenzopyran-2-carboxylate
• Methyl chromone-2-carboxylate
• Specs Ae-641/04609013
• Methyl 4-oxo-4H-chromene-2-carboxylate

4H-1-Benzopyran-2-carboxylicacid, 4-oxo-, methyl ester

CAS: 18398-73-7

Formula: C₁₁H₈O₄

Purity: 95%

Molecular weight: 204.1788

Ref: IN-DA0075VT

Methyl 4-oxo-4H-chromene-2-carboxylate

CAS: 18398-73-7

Methyl 4-oxo-4H-chromene-2-carboxylate

Purity: 95%

Molecular weight: 204.18g/mol

Ref: 54-OR1053810

Methyl 4-oxo-4H-chromene-2-carboxylate

CAS: 18398-73-7

Methyl 4-oxo-4H-chromene-2-carboxylate belongs to the class of flavones. It is a chiral compound with two stereoisomers. The solid-state structure has been determined by X-ray crystallography. Methyl 4-oxo-4H-chromene-2-carboxylate is soluble in organic solvents, such as acetone, ethanol, and diethyl ether. This compound is photochemically active and can be used in the preparation of chromones, aliphatic esters, dimers, and aldehydes via photolysis or irradiation. The reactivity of this compound is very sensitive to light and oxygen.

Formula: C₁₁H₈O₄

Purity: Min. 95%

Molecular weight: 204.18 g/mol

Ref: 3D-TAA39873