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CAS 99281-88-6

:

2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate

Description:
2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate, with the CAS number 99281-88-6, is an organic compound characterized by its functional groups and structural features. It contains a butenoic acid backbone, which is a four-carbon unsaturated carboxylic acid, and an amino group at the fourth carbon position, contributing to its reactivity and potential biological activity. The methyl ester indicates that the carboxylic acid is esterified with methanol, enhancing its solubility in organic solvents. The (E)- configuration denotes the trans arrangement of substituents around the double bond, which can influence its chemical behavior and interactions. The trifluoroacetate moiety adds significant electronegativity and can enhance the compound's stability and lipophilicity. Overall, this compound may exhibit interesting properties for applications in pharmaceuticals or as a synthetic intermediate, owing to its unique combination of functional groups and structural characteristics. Its specific reactivity and applications would depend on the context of its use in chemical synthesis or biological systems.
Formula:C5H9NO2·C2HF3O2
InChI:InChI=1S/C5H9NO2.C2HF3O2/c1-8-5(7)3-2-4-6;3-2(4,5)1(6)7/h2-3H,4,6H2,1H3;(H,6,7)/b3-2+;
InChI key:InChIKey=QOPUSJRSVLGGIR-SQQVDAMQSA-N
SMILES:C(/C=C/CN)(OC)=O.C(C(O)=O)(F)(F)F
Synonyms:
  • (E)-Methyl 4-aminobut-2-enoate trifluoroacetic acid salt
  • 2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate
  • Acetic acid, trifluoro-, compd. with (E)-methyl 4-amino-2-butenoate (1:1)
  • Methyl (E)-4-amino-2-butenoate trifluoroacetate
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