CAS 1131594-19-8
:Ethyl 3-bromo-4-(1,1-dimethylethyl)benzoate
Description:
Ethyl 3-bromo-4-(1,1-dimethylethyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a bromine atom at the 3-position and a tert-butyl group at the 4-position of the aromatic ring, contributing to its unique reactivity and physical properties. The presence of the ethyl ester group enhances its solubility in organic solvents, making it useful in various chemical applications. The bromine substituent can participate in nucleophilic substitution reactions, while the bulky tert-butyl group can influence steric hindrance, affecting the compound's reactivity and interaction with other molecules. Ethyl 3-bromo-4-(1,1-dimethylethyl)benzoate may be utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals. Its specific properties, such as boiling point, melting point, and spectral characteristics, would depend on the molecular structure and the surrounding environment. Safety data and handling precautions should be considered due to the presence of bromine, which can be hazardous.
Formula:C13H17BrO2
InChI:InChI=1S/C13H17BrO2/c1-5-16-12(15)9-6-7-10(11(14)8-9)13(2,3)4/h6-8H,5H2,1-4H3
InChI key:InChIKey=RAFYNCLWNDNDKY-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(Br)=C(C(C)(C)C)C=C1
Synonyms:- Benzoic acid, 3-bromo-4-(1,1-dimethylethyl)-, ethyl ester
- Ethyl 3-bromo-4-(1,1-dimethylethyl)benzoate
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