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CAS 2121515-29-3

:

1-Methylethyl 3-bromo-5-(1-methylethyl)benzoate

Description:
1-Methylethyl 3-bromo-5-(1-methylethyl)benzoate, identified by its CAS number 2121515-29-3, is an organic compound that belongs to the class of benzoate esters. This substance features a benzoate moiety, which is characterized by a benzene ring attached to a carboxylate group, in this case, esterified with an isopropyl group (1-methylethyl). The presence of bromine at the 3-position and another isopropyl group at the 5-position of the benzene ring contributes to its unique chemical properties. The compound is likely to exhibit moderate polarity due to the ester functional group, influencing its solubility in organic solvents. Additionally, the bromine substituent may impart specific reactivity, making it a potential candidate for further chemical transformations. Its structural features suggest potential applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of more complex molecules. However, detailed studies on its physical properties, reactivity, and potential applications would be necessary for a comprehensive understanding of this compound.
Formula:C13H17BrO2
InChI:InChI=1S/C13H17BrO2/c1-8(2)10-5-11(7-12(14)6-10)13(15)16-9(3)4/h5-9H,1-4H3
InChI key:InChIKey=MGHVIFBVMUWGHI-UHFFFAOYSA-N
SMILES:C(OC(C)C)(=O)C1=CC(C(C)C)=CC(Br)=C1
Synonyms:
  • Benzoic acid, 3-bromo-5-(1-methylethyl)-, 1-methylethyl ester
  • 1-Methylethyl 3-bromo-5-(1-methylethyl)benzoate
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