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CAS 1218810-53-7

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2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1)

Description:
2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1) is a chemical compound characterized by its unique structure, which includes a butenoic acid backbone with an amino group and an ethyl ester functional group. The presence of the trifluoroacetate moiety indicates that it has significant fluorine content, which can enhance its reactivity and influence its physical properties, such as solubility and volatility. This compound is likely to exhibit both acidic and basic characteristics due to the carboxylic acid and amino functionalities, respectively. It may participate in various chemical reactions, including esterification and amine reactivity, making it of interest in synthetic organic chemistry. Additionally, the (2E)- configuration suggests a specific geometric arrangement around the double bond, which can affect its biological activity and interactions. Overall, this compound's unique combination of functional groups and structural features makes it a valuable candidate for research in medicinal chemistry and material science.
Formula:C6H11NO2·C2HF3O2
InChI:InChI=1S/C6H11NO2.C2HF3O2/c1-2-9-6(8)4-3-5-7;3-2(4,5)1(6)7/h3-4H,2,5,7H2,1H3;(H,6,7)/b4-3+;
InChI key:InChIKey=PBCUXVBAFHEINJ-BJILWQEISA-N
SMILES:C(/C=C/CN)(OCC)=O.C(C(O)=O)(F)(F)F
Synonyms:
  • Ethyl (2E)-4-aminobut-2-enoate trifluoroacetate
  • 2-Butenoic acid, 4-amino-, ethyl ester, (2E)-, 2,2,2-trifluoroacetate (1:1)
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