Ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate

CAS: 2199-90-8

Ref. 3D-FE132754

Product Information

• Name: Ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate
• Synonyms: 2H-1-benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, ethyl ester, 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, ethyl ester, 6-Bromo-2-oxo-2H-chromene-3-carboxylic acid ethyl ester
• CAS: 2199-90-8

Description

Ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate is a heterocyclic organic compound that can be synthesized by the condensation of malonic acid with ethyl bromide. This compound is an active ingredient in some sunscreens and has been shown to have a stabilizing effect on the chalcones, coumarin derivatives, and chiral gelation. The orientation of this molecule in a crystal lattice has been shown to be dependent on the molecular weight and shape, as well as the solvent used for crystallization. The supramolecular interactions between this molecule and other molecules are also dependent on these factors. A functional theory was used to calculate the experimental values for these interactions. Ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate interacts with hydrogen atoms in water molecules through hydrogen bonding, which leads to its solub

• Brand: Biosynth

Chemical properties

• Molecular weight: 297.1 g/mol
• Formula: C₁₂H₉BrO₄
• Purity: Min. 95%
• InChI: InChI=1S/C12H9BrO4/c1-2-16-11(14)9-6-7-5-8(13)3-4-10(7)17-12(9)15/h3-6H,2H2,1H3
• InChI key: InChIKey=RXGDNKCWEKUYQA-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cc2cc(Br)ccc2oc1=O