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CAS 247186-51-2

:

1,1-Dimethylethyl 4-bromo-3-methoxybenzoate

Description:
1,1-Dimethylethyl 4-bromo-3-methoxybenzoate, with the CAS number 247186-51-2, is an organic compound characterized by its ester functional group, which is formed from the reaction of a carboxylic acid and an alcohol. This compound features a benzoate structure, where a bromine atom and a methoxy group are substituted on the aromatic ring, specifically at the 4 and 3 positions, respectively. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and solubility. Typically, compounds like this may exhibit moderate to low solubility in water but can be more soluble in organic solvents due to their hydrophobic characteristics. The bromine substituent can impart unique reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Additionally, the methoxy group can affect the electronic properties of the molecule, influencing its behavior in chemical reactions and interactions with biological systems. Overall, this compound's structure suggests potential applications in organic synthesis and medicinal chemistry.
Formula:C12H15BrO3
InChI:InChI=1S/C12H15BrO3/c1-12(2,3)16-11(14)8-5-6-9(13)10(7-8)15-4/h5-7H,1-4H3
InChI key:InChIKey=QVCCBRWZXNOFCC-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(OC)=C(Br)C=C1
Synonyms:
  • 1,1-Dimethylethyl 4-bromo-3-methoxybenzoate
  • Benzoic acid, 4-bromo-3-methoxy-, 1,1-dimethylethyl ester
  • tert-Butyl 4-bromo-3-methoxybenzoate
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