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CAS 7598-70-1

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diethyl (4-nitrobenzyl)propanedioate

Description:
Diethyl (4-nitrobenzyl)propanedioate, with the CAS number 7598-70-1, is an organic compound characterized by its ester functional groups and a nitro-substituted aromatic ring. This compound features a propanedioate backbone, which consists of two ester groups derived from diethyl esterification of malonic acid. The presence of the 4-nitrobenzyl group introduces both electron-withdrawing characteristics due to the nitro group and steric effects from the benzyl moiety, influencing its reactivity and solubility. Typically, such compounds exhibit moderate polarity, making them soluble in organic solvents while being less soluble in water. They may participate in various chemical reactions, including nucleophilic substitutions and condensation reactions, often serving as intermediates in organic synthesis. The nitro group can also be reduced to amines or further functionalized, expanding the compound's utility in synthetic chemistry. Safety data should be consulted for handling, as nitro compounds can be hazardous. Overall, diethyl (4-nitrobenzyl)propanedioate is a versatile compound in organic synthesis with potential applications in pharmaceuticals and materials science.
Formula:C14H17NO6
InChI:InChI=1/C14H17NO6/c1-3-20-13(16)12(14(17)21-4-2)9-10-5-7-11(8-6-10)15(18)19/h5-8,12H,3-4,9H2,1-2H3
SMILES:CCOC(=O)C(Cc1ccc(cc1)N(=O)=O)C(=O)OCC
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