CAS 3516-89-0
:Ethyl 4-(ethoxycarbonyl)benzeneacetate
Description:
Ethyl 4-(ethoxycarbonyl)benzeneacetate, with the CAS number 3516-89-0, is an organic compound that belongs to the class of esters. It features a benzene ring substituted with an ethoxycarbonyl group and an acetate moiety, contributing to its structural complexity. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. It is moderately soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic characteristics. Ethyl 4-(ethoxycarbonyl)benzeneacetate is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the presence of both the ester and aromatic functional groups, allowing for potential reactions such as hydrolysis, transesterification, and electrophilic aromatic substitution. Safety data indicates that, like many organic compounds, it should be handled with care, using appropriate safety measures to avoid inhalation or skin contact.
Formula:C13H16O4
InChI:InChI=1S/C13H16O4/c1-3-16-12(14)9-10-5-7-11(8-6-10)13(15)17-4-2/h5-8H,3-4,9H2,1-2H3
InChI key:InChIKey=SVEHRHHIEOHRGJ-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)C1=CC=C(C(OCC)=O)C=C1
Synonyms:- Ethyl 4-(2-ethoxy-2-oxoethyl)benzoate
- Ethyl 4-(ethoxycarbonyl)benzeneacetate
- p-Toluic acid, α-carboxy-, diethyl ester
- Ethyl 4-ethoxycarbonylphenylacetate
- Benzeneacetic acid, 4-(ethoxycarbonyl)-, ethyl ester
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