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CAS 26039-74-7

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1,3-Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylpropanedioate

Description:
1,3-Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylpropanedioate, with the CAS number 26039-74-7, is an organic compound characterized by its ester functional groups and a complex aromatic substituent. This compound features a diethyl ester moiety, indicating the presence of two ethyl groups attached to the carbonyl carbons of a dicarboxylic acid. The presence of a 3-chloro-4-nitrophenyl group suggests significant electron-withdrawing characteristics due to the chlorine and nitro substituents, which can influence the compound's reactivity and polarity. The structure also includes a branched alkyl chain, contributing to its steric properties. Typically, compounds of this nature may exhibit moderate solubility in organic solvents and limited solubility in water, reflecting their hydrophobic characteristics. The presence of both electron-withdrawing and electron-donating groups can lead to interesting chemical behavior, making it potentially useful in various synthetic applications, including pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as compounds with nitro and chloro groups can pose health and environmental risks.
Formula:C14H16ClNO6
InChI:InChI=1S/C14H16ClNO6/c1-4-21-12(17)14(3,13(18)22-5-2)9-6-7-11(16(19)20)10(15)8-9/h6-8H,4-5H2,1-3H3
InChI key:InChIKey=UCPDPMHNVNYSTI-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(OCC)=O)(C)C1=CC(Cl)=C(N(=O)=O)C=C1
Synonyms:
  • 1,3-Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylpropanedioate
  • Diethyl (3-Chloro-4-Nitrobenzyl)Propanedioate
  • Diethyl 2-(3-chloro-4-nitrophenyl)-2-methylmalonate
  • Malonic acid, (3-chloro-4-nitrophenyl)methyl-, diethyl ester
  • Propanedioic acid, (3-chloro-4-nitrophenyl)methyl-, diethyl ester
  • Propanedioic acid, 2-(3-chloro-4-nitrophenyl)-2-methyl-, 1,3-diethyl ester
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