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CAS 445441-26-9

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(E)-tert-butyl 4-acetoxybut-2-enoate

Description:
(E)-tert-butyl 4-acetoxybut-2-enoate is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a tert-butyl group, contributing to its steric bulk and influencing its reactivity and solubility. The presence of the acetoxy group indicates that it has an acetyl moiety, which can participate in various chemical reactions, such as hydrolysis or transesterification. The (E) configuration denotes that the substituents around the double bond are on opposite sides, which can affect the compound's physical properties, such as boiling point and solubility. Typically, compounds like this may exhibit moderate polarity due to the presence of both hydrophobic (tert-butyl) and hydrophilic (acetoxy) groups. Its applications may include use in organic synthesis, particularly in the preparation of more complex molecules, and it may also serve as an intermediate in pharmaceutical or agrochemical development. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C21H22F2N2O3S
InChI:InChI=1/C21H22F2N2O3S/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23/h3-7,12-14H,8-11H2,1-2H3
SMILES:CN1CCC(CC1)c1cn(C)c2ccc(cc12)OS(=O)(=O)c1c(cccc1F)F
Synonyms:
  • 1-methyl-3-(1-methylpiperidin-4-yl)-1H-indol-5-yl 2,6-difluorobenzenesulfonate
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