CAS 933916-95-1: 4-(Chloromethyl)-6-ethoxy-2H-1-benzopyran-2-one

Description: 4-(Chloromethyl)-6-ethoxy-2H-1-benzopyran-2-one, with the CAS number 933916-95-1, is a synthetic organic compound characterized by its benzopyran structure, which is a fused ring system comprising a benzene ring and a pyran ring. This compound features a chloromethyl group and an ethoxy substituent, which influence its reactivity and solubility. The presence of the chloromethyl group suggests potential for nucleophilic substitution reactions, while the ethoxy group may enhance its lipophilicity, affecting its biological activity and interaction with other molecules. The compound's structure indicates it may exhibit properties typical of flavonoids, such as antioxidant activity, and could be of interest in medicinal chemistry for its potential therapeutic applications. Its synthesis and characterization would typically involve standard organic chemistry techniques, including NMR and mass spectrometry for structural confirmation. As with many synthetic compounds, safety data and handling precautions should be considered, particularly due to the presence of the chloromethyl group, which can be reactive.

Formula: C₁₂H₁₁ClO₃

InChI: InChI=1S/C12H11ClO3/c1-2-15-9-3-4-11-10(6-9)8(7-13)5-12(14)16-11/h3-6H,2,7H2,1H3

InChI key: InChIKey=QYPQQESJVUOZBT-UHFFFAOYSA-N

SMILES: O=C1OC=2C=CC(OCC)=CC2C(=C1)CCl

Synonyms:

• 4-(Chloromethyl)-6-ethoxy-2H-1-benzopyran-2-one
• 2H-1-Benzopyran-2-one, 4-(chloromethyl)-6-ethoxy-

4-(Chloromethyl)-6-ethoxy-2H-chromen-2-one

CAS: 933916-95-1

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• Formula: C₁₂H₁₁ClO₃
• Purity: Min. 95%
• Molecular weight: 238.67 g/mol