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CAS 795-18-6

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N-(2-Ethoxy-2-oxoethyl)-N-(phenylmethyl)-β-alanine ethyl ester

Description:
N-(2-Ethoxy-2-oxoethyl)-N-(phenylmethyl)-β-alanine ethyl ester, with the CAS number 795-18-6, is a chemical compound characterized by its unique structure that includes an ethyl ester functional group and a β-alanine backbone. This compound typically exhibits properties associated with both amino acids and esters, such as solubility in organic solvents and potential reactivity due to the presence of the carbonyl and amino groups. It may participate in various chemical reactions, including esterification and amidation, making it useful in synthetic organic chemistry. The ethoxy and phenylmethyl substituents contribute to its lipophilicity, which can influence its biological activity and interaction with other molecules. Additionally, compounds like this may have applications in pharmaceuticals or as intermediates in the synthesis of more complex molecules. However, specific physical properties such as melting point, boiling point, and spectral data would require empirical measurement or literature reference for precise characterization.
Formula:C16H23NO4
InChI:InChI=1S/C16H23NO4/c1-3-20-15(18)10-11-17(13-16(19)21-4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChI key:InChIKey=JWYHGTSTWMQTHS-UHFFFAOYSA-N
SMILES:N(CC1=CC=CC=C1)(CCC(OCC)=O)CC(OCC)=O
Synonyms:
  • 3-(Benzyl((ethoxycarbonyl)methyl)amino)propionic acid ethyl ester
  • Ethyl N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-beta-alaninate
  • N-(2-Ethoxy-2-oxoethyl)-N-(phenylmethyl)-β-alanine ethyl ester
  • NSC 87604
  • ethyl N-benzyl-N-(2-ethoxy-2-oxoethyl)-beta-alaninate
  • β-Alanine, N-(2-ethoxy-2-oxoethyl)-N-(phenylmethyl)-, ethyl ester
  • β-Alanine, N-benzyl-N-(carboxymethyl)-, diethyl ester
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