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CAS 59726-39-5

:

1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate

Description:
1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate, with CAS number 59726-39-5, is an organic compound characterized by its ester functional groups and a complex aliphatic structure. This compound features a propanedioate backbone, which is a diester derived from malonic acid, with ethyl groups attached to the first and third carbon atoms. The presence of a branched isopropyl group and a propenyl substituent at the second carbon contributes to its unique reactivity and potential applications in organic synthesis. The compound is likely to be a colorless to pale yellow liquid, exhibiting moderate volatility and solubility in organic solvents. Its chemical properties may include susceptibility to hydrolysis under acidic or basic conditions, making it useful in various chemical reactions, including esterification and polymerization processes. Additionally, the presence of multiple functional groups suggests potential applications in the synthesis of more complex molecules or as intermediates in the production of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C13H22O4
InChI:InChI=1S/C13H22O4/c1-6-9-13(10(4)5,11(14)16-7-2)12(15)17-8-3/h6,10H,1,7-9H2,2-5H3
InChI key:InChIKey=QGNLWDKSPVNFGI-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(OCC)=O)(CC=C)C(C)C
Synonyms:
  • 1,3-Diethyl 2-(prop-2-en-1-yl)-2-(propan-2-yl)propanedioate
  • 1,3-Diethyl 2-(1-methylethyl)-2-(2-propen-1-yl)propanedioate
  • Malonic acid, allylisopropyl-, diethyl ester
  • Propanedioic acid, (1-methylethyl)-2-propenyl-, diethyl ester
  • Propanedioic acid, 2-(1-methylethyl)-2-(2-propen-1-yl)-, 1,3-diethyl ester
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