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CAS 2017-88-1

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Ethyl (2E)-2-cyano-3-(4-methylphenyl)-2-propenoate

Description:
Ethyl (2E)-2-cyano-3-(4-methylphenyl)-2-propenoate, with CAS number 2017-88-1, is an organic compound characterized by its functional groups, including a cyano group and an ester group. It features a propenoate backbone, which contributes to its reactivity and potential applications in organic synthesis. The presence of the 4-methylphenyl substituent enhances its aromatic character, influencing its physical properties such as solubility and boiling point. This compound is typically a colorless to pale yellow liquid, exhibiting a pleasant odor. It is soluble in organic solvents like ethanol and ether but has limited solubility in water due to its hydrophobic aromatic component. Ethyl (2E)-2-cyano-3-(4-methylphenyl)-2-propenoate is often utilized in the synthesis of various pharmaceuticals and agrochemicals, owing to its ability to participate in nucleophilic addition reactions and other transformations. Safety data should be consulted for handling, as it may pose health risks if ingested or inhaled.
Formula:C13H13NO2
InChI:InChI=1/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-10(2)5-7-11/h4-8H,3H2,1-2H3/b12-8+
InChI key:InChIKey=KKIZDEFOEGGSKX-XYOKQWHBSA-N
SMILES:C(=C(/C(OCC)=O)\C#N)\C1=CC=C(C)C=C1
Synonyms:
  • 2-Propenoic acid, 2-cyano-3-(4-methylphenyl)-, ethyl ester
  • 2-Propenoic acid, 2-cyano-3-(4-methylphenyl)-, ethyl ester, (E)-
  • 2-propenoic acid, 2-cyano-3-(4-methylphenyl)-, ethyl ester, (2E)-
  • Cinnamic acid, α-cyano-p-methyl-, ethyl ester, (E)-
  • Ethyl (2E)-2-cyano-3-(4-methylphenyl)-2-propenoate
  • Ethyl (2E)-2-cyano-3-(4-methylphenyl)acrylate
  • Ethyl (E)-2-cyano-3-(4-methylphenyl)-2-propenoate
  • RARECHEM AL BR 0113
  • Ethyl (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
  • (E)-Ethyl 2-cyano-3-(4-methylphenyl)acrylate
  • ETHYL 2-CYANO-3-(4-METHYLPHENYL)ACRYLATE
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