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CAS 87736-89-8

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Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester

Description:
Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester, identified by CAS number 87736-89-8, is a chemical compound that features a complex structure incorporating a benzoic acid moiety, a diazirine group, and a pyrrolidine ester. The presence of the trifluoromethyl group enhances its reactivity and lipophilicity, making it useful in various chemical applications, including photochemistry and as a potential precursor in synthetic organic chemistry. The diazirine component is notable for its ability to undergo photochemical reactions, particularly in the formation of reactive intermediates upon exposure to UV light, which can facilitate covalent bonding with biological molecules. The pyrrolidine ring contributes to the compound's overall stability and may influence its biological activity. This compound's unique structural features and reactivity profile make it of interest in fields such as medicinal chemistry and materials science, where it may be explored for applications in drug development or as a functionalized building block in organic synthesis.
Formula:C13H8F3N3O4
InChI:InChI=1S/C13H8F3N3O4/c14-13(15,16)12(17-18-12)8-3-1-7(2-4-8)11(22)23-19-9(20)5-6-10(19)21/h1-4H,5-6H2
InChI key:InChIKey=INRPFQHJCXWTGK-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1(N=N1)C2=CC=C(C(ON3C(=O)CCC3=O)=O)C=C2
Synonyms:
  • 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate
  • 2,5-Pyrrolidinedione, 1-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]oxy]-
  • 2,5-Pyrrolidinedione,1-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]oxy]- (9CI)
  • 3H-Diazirine,2,5-pyrrolidinedione deriv.
  • Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester
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