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CAS 1017781-46-2

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Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate

Description:
Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate, with the CAS number 1017781-46-2, is a chemical compound characterized by its complex structure, which includes an ethyl ester functional group, an amine, and a β-oxobenzene moiety. This compound typically exhibits properties associated with esters, such as volatility and solubility in organic solvents, while also displaying potential reactivity due to the presence of the amine and carbonyl groups. The dimethylethoxy group contributes to the steric hindrance, which may influence its reactivity and interactions with other molecules. Ethyl esters are often used in organic synthesis and can serve as intermediates in the production of pharmaceuticals and agrochemicals. The presence of the β-oxobenzene structure may impart unique electronic properties, making it of interest in various chemical applications, including medicinal chemistry and materials science. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.
Formula:C16H21NO5
InChI:InChI=1S/C16H21NO5/c1-5-21-14(19)10-13(18)11-8-6-7-9-12(11)17-15(20)22-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,20)
InChI key:InChIKey=ZWVKICHJUKXLQQ-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C(C(CC(OCC)=O)=O)C=CC=C1
Synonyms:
  • Ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxobenzenepropanoate
  • Benzenepropanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-β-oxo-, ethyl ester
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