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CAS 2121514-84-7

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

Description:
Phenylmethyl 3-bromo-5-(1-methylethyl)benzoate, identified by its CAS number 2121514-84-7, is an organic compound characterized by its ester functional group, which is formed from the reaction of benzoic acid and phenylmethyl alcohol. This compound features a bromine atom at the 3-position and an isopropyl group at the 5-position of the aromatic ring, contributing to its unique chemical properties. The presence of the bromine substituent can enhance the compound's reactivity, making it useful in various synthetic applications, including medicinal chemistry and material science. Its structure suggests potential for interactions such as hydrogen bonding and pi-stacking due to the aromatic rings, which may influence its solubility and stability in different solvents. Additionally, the compound's molecular framework may exhibit interesting biological activities, warranting further investigation in pharmacological contexts. Overall, Phenylmethyl 3-bromo-5-(1-methylethyl)benzoate represents a versatile compound with potential applications in both research and industry.
Formula:C17H17BrO2
InChI:InChI=1S/C17H17BrO2/c1-12(2)14-8-15(10-16(18)9-14)17(19)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChI key:InChIKey=UALBDWYPRUUJRI-UHFFFAOYSA-N
SMILES:C(OCC1=CC=CC=C1)(=O)C2=CC(C(C)C)=CC(Br)=C2
Synonyms:
  • Benzoic acid, 3-bromo-5-(1-methylethyl)-, phenylmethyl ester
  • Phenylmethyl 3-bromo-5-(1-methylethyl)benzoate
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