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CAS 55666-42-7

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tert-Butyl 2-bromobenzoate

Description:
Tert-Butyl 2-bromobenzoate is an organic compound characterized by its ester functional group, derived from benzoic acid and tert-butyl alcohol. It features a bromine atom attached to the second carbon of the benzene ring, which influences its reactivity and properties. This compound typically appears as a colorless to pale yellow liquid with a distinctive aromatic odor. It is moderately soluble in organic solvents such as ethanol and ether, but has limited solubility in water due to its hydrophobic tert-butyl group. Tert-Butyl 2-bromobenzoate is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, owing to its ability to participate in nucleophilic substitution reactions. Its reactivity can be attributed to the presence of the bromine atom, which can be displaced by nucleophiles. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate protective equipment should be used to minimize exposure.
Formula:C11H13BrO2
InChI:InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChI key:InChIKey=ZELNHJFYEDOWLF-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=C(Br)C=CC=C1
Synonyms:
  • 1,1-Dimethylethyl 2-bromobenzoate
  • 1,1-Dimethylethyl2-bromobenzoate
  • 2-Bromobenzoic acid tert-butyl ester
  • tert-Butyl 2-bromobenzoate
  • tert-Butyl o-bromobenzoate
  • tert-Butyl2-bromobenzoate
  • Benzoic acid, 2-bromo-, 1,1-dimethylethyl ester
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