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CAS 5025-56-9

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Methyl 6-(bromomethyl)-1,3-benzodioxole-5-carboxylate

Description:
Methyl 6-(bromomethyl)-1,3-benzodioxole-5-carboxylate, with the CAS number 5025-56-9, is an organic compound characterized by its complex structure, which includes a benzodioxole moiety and a bromomethyl group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as ethanol and dichloromethane, but has limited solubility in water. The presence of the bromomethyl group suggests potential reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The carboxylate ester functional group contributes to its reactivity, allowing for hydrolysis and other transformations. Additionally, the compound may exhibit biological activity, although specific biological properties would depend on the context of its use and the presence of other functional groups. Safety data should be consulted, as halogenated compounds can pose health risks, and appropriate handling procedures should be followed in laboratory settings.
Formula:C10H9BrO4
InChI:InChI=1S/C10H9BrO4/c1-13-10(12)7-3-9-8(14-5-15-9)2-6(7)4-11/h2-3H,4-5H2,1H3
InChI key:InChIKey=QYMPAGZQZQRTOI-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(CBr)C=C2C(=C1)OCO2
Synonyms:
  • Piperonylic acid, 6-(bromomethyl)-, methyl ester
  • 1,3-Benzodioxole-5-carboxylic acid, 6-(bromomethyl)-, methyl ester
  • Methyl 6-(bromomethyl)-1,3-benzodioxole-5-carboxylate
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