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CAS 1026417-18-4

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Methyl 4-[(5-bromopentyl)oxy]benzeneacetate

Description:
Methyl 4-[(5-bromopentyl)oxy]benzeneacetate, identified by its CAS number 1026417-18-4, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a benzene ring substituted with a methoxycarbonyl group (acetate) and a 5-bromopentyl ether side chain, contributing to its unique chemical properties. The presence of the bromine atom enhances its reactivity and potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Its molecular structure suggests moderate lipophilicity, which may influence its solubility in organic solvents and its behavior in biological systems. Additionally, the compound's brominated alkyl chain may impart specific interactions with biological targets, making it of interest in medicinal chemistry. Overall, Methyl 4-[(5-bromopentyl)oxy]benzeneacetate is a versatile compound with potential applications in various fields, including materials science and drug development.
Formula:C14H19BrO3
InChI:InChI=1S/C14H19BrO3/c1-17-14(16)11-12-5-7-13(8-6-12)18-10-4-2-3-9-15/h5-8H,2-4,9-11H2,1H3
InChI key:InChIKey=NNORCUDKGASIRG-UHFFFAOYSA-N
SMILES:C(C(OC)=O)C1=CC=C(OCCCCCBr)C=C1
Synonyms:
  • Benzeneacetic acid, 4-[(5-bromopentyl)oxy]-, methyl ester
  • Methyl 4-[(5-bromopentyl)oxy]benzeneacetate
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