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CAS 54441-66-6

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tert-butyl 3-oxo-3-phenylpropanoate

Description:
Tert-butyl 3-oxo-3-phenylpropanoate, with the CAS number 54441-66-6, is an organic compound characterized by its ester functional group. It features a tert-butyl group, which contributes to its steric bulk and influences its reactivity and solubility. The compound contains a phenyl group attached to a propanoate backbone, which enhances its aromatic characteristics and may affect its interactions in various chemical environments. Typically, this compound is a colorless to pale yellow liquid, exhibiting moderate volatility. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic tert-butyl and phenyl groups. Tert-butyl 3-oxo-3-phenylpropanoate can participate in various chemical reactions, including nucleophilic substitutions and condensation reactions, making it useful in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.
Formula:C13H16O3
InChI:InChI=1/C13H16O3/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
SMILES:CC(C)(C)OC(=O)CC(=O)c1ccccc1
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