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CAS 690260-92-5

:

1,1-Dimethylethyl 3-bromo-5-iodobenzoate

Description:
1,1-Dimethylethyl 3-bromo-5-iodobenzoate, with the CAS number 690260-92-5, is an organic compound characterized by its ester functional group, which is formed from benzoic acid and an alcohol. This compound features a benzoate moiety substituted at the 3 and 5 positions with bromine and iodine atoms, respectively, and a tert-butyl group (1,1-dimethylethyl) attached to the oxygen of the ester. The presence of halogen substituents contributes to its reactivity and potential applications in organic synthesis, particularly in coupling reactions or as intermediates in the preparation of more complex molecules. The tert-butyl group enhances the steric bulk around the ester, which can influence its reactivity and solubility in various solvents. Additionally, the compound may exhibit interesting physical properties, such as melting and boiling points, which are influenced by its molecular structure and the presence of halogens. Overall, this compound is of interest in the field of synthetic organic chemistry and may have applications in pharmaceuticals or materials science.
Formula:C11H12BrIO2
InChI:InChI=1S/C11H12BrIO2/c1-11(2,3)15-10(14)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3
InChI key:InChIKey=AREWIKXENJBJKN-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(Br)=CC(I)=C1
Synonyms:
  • tert-Butyl 3-bromo-5-iodobenzoate
  • 3-Bromo-5-iodobenzoic acid tert-butyl ester
  • 1,1-Dimethylethyl 3-bromo-5-iodobenzoate
  • Benzoic acid, 3-bromo-5-iodo-, 1,1-dimethylethyl ester
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