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CAS 93952-12-6

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1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester

Description:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester, is a deuterated derivative of a dicarboxylic acid, specifically a benzene ring substituted with two carboxylic acid groups and ethyl ester functionalities. The presence of deuterium (d4) indicates that four hydrogen atoms in the molecule are replaced with deuterium isotopes, which can be useful in various applications, including NMR spectroscopy and tracer studies. This compound typically exhibits characteristics associated with aromatic compounds, such as stability and distinct reactivity due to the electron-withdrawing carboxyl groups. The diethyl ester form suggests that the compound is likely to be a liquid at room temperature, with moderate solubility in organic solvents. Its chemical behavior may include esterification and hydrolysis reactions, and it can participate in various organic synthesis pathways. The presence of multiple functional groups also implies potential for further derivatization, making it a versatile intermediate in chemical synthesis.
Formula:C12H10D4O4
InChI:InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3/i5D,6D,7D,8D
InChI key:InChIKey=FLKPEMZONWLCSK-KDWZCNHSSA-N
SMILES:C(OCC)(=O)C1=C(C(OCC)=O)C(=C(C(=C1[2H])[2H])[2H])[2H]
Synonyms:
  • 1,2-Benzene-3,4,5,6-d<sub>4</sub>-dicarboxylic acid, diethyl ester
  • diethyl (2H4)benzene-1,2-dicarboxylate
  • 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, diethyl ester
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