CAS 1989672-39-0

2H-1-Benzopyran-3-carboxylic acid, 3-amino-3,4-dihydro-, methyl ester, hydrochloride (1:1)

Description:

2H-1-Benzopyran-3-carboxylic acid, 3-amino-3,4-dihydro-, methyl ester, hydrochloride (1:1) is a chemical compound characterized by its benzopyran structure, which is a fused ring system consisting of a benzene ring and a pyran ring. This compound features a carboxylic acid functional group, an amino group, and a methyl ester, contributing to its potential biological activity. The hydrochloride form indicates that the compound is a salt formed with hydrochloric acid, which often enhances solubility in water and stability. The presence of the amino group suggests potential for interactions with biological systems, making it of interest in medicinal chemistry. Its molecular structure may allow for various chemical reactions, including esterification and amination. The compound's properties, such as solubility, melting point, and reactivity, would be influenced by the functional groups present and the overall molecular conformation. As with many benzopyran derivatives, it may exhibit pharmacological activities, including antioxidant or anti-inflammatory effects, warranting further investigation in drug development contexts.

Formula: C₁₁H₁₃NO₃·ClH

InChI: InChI=1S/C11H13NO3.ClH/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)15-7-11;/h2-5H,6-7,12H2,1H3;1H

InChI key: InChIKey=WIWNLTOHQVNLRR-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1(N)CC=2C(OC1)=CC=CC2.Cl

Synonyms:

• 2H-1-Benzopyran-3-carboxylic acid, 3-amino-3,4-dihydro-, methyl ester, hydrochloride (1:1)

Methyl 3-amino-3,4-dihydro-2H-1-benzopyran-3-carboxylate hydrochloride

CAS: 1989672-39-0

Versatile small molecule scaffold

Formula: C₁₁H₁₄ClNO₃

Purity: Min. 95%

Molecular weight: 243.68 g/mol

Ref: 3D-PED67239