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CAS 1072946-57-6

:

1-Ethyl 3-boronobenzenepentanoate

Description:
1-Ethyl 3-boronobenzenepentanoate, with the CAS number 1072946-57-6, is an organic compound that features a boron-containing functional group attached to a benzene ring. This compound is characterized by its ester functional group, which is derived from pentanoic acid, and an ethyl substituent that enhances its solubility and reactivity. The presence of the boron atom in the structure suggests potential applications in organic synthesis, particularly in cross-coupling reactions, due to boron's ability to form stable complexes with various nucleophiles. Additionally, the compound may exhibit unique properties such as increased lipophilicity and potential biological activity, making it of interest in medicinal chemistry and materials science. Its molecular structure likely contributes to its reactivity and interaction with other chemical species, which can be explored in various synthetic pathways. As with many boron-containing compounds, it may also play a role in catalysis or as a building block in the development of more complex molecular architectures.
Formula:C13H19BO4
InChI:InChI=1S/C13H19BO4/c1-2-18-13(15)9-4-3-6-11-7-5-8-12(10-11)14(16)17/h5,7-8,10,16-17H,2-4,6,9H2,1H3
InChI key:InChIKey=VKBIWJNTRMUYTC-UHFFFAOYSA-N
SMILES:C(CCCC(OCC)=O)C1=CC(B(O)O)=CC=C1
Synonyms:
  • Benzenepentanoic acid, 3-borono-, 1-ethyl ester
  • 1-Ethyl 3-boronobenzenepentanoate
  • 3-Boronobenzenepentanoic acid 1-ethyl ester
  • 3-(4-Carboethoxybutyl)phenylboronic acid
  • 3-(5-Ethoxy-5-oxopentyl)phenylboronic acid
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