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CAS 1131587-56-8

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1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

Description:
1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate, identified by its CAS number 1131587-56-8, is a chemical compound that features a complex structure characterized by the presence of a benzoate moiety, an amino group, and halogen substituents. The compound contains a trifluoromethyl group, which is known for its electron-withdrawing properties, enhancing the compound's reactivity and potential applications in medicinal chemistry. The iodine atom introduces additional reactivity, making it a useful intermediate in various synthetic pathways. The tert-butyl group (1,1-dimethylethyl) contributes to the steric bulk, which can influence the compound's solubility and interaction with biological targets. This compound may exhibit interesting pharmacological properties due to its unique functional groups, making it a candidate for further research in drug development or as a chemical probe in biological studies. Overall, its structural features suggest potential utility in various chemical and pharmaceutical applications, warranting further investigation into its properties and reactivity.
Formula:C12H13F3INO2
InChI:InChI=1S/C12H13F3INO2/c1-11(2,3)19-10(18)6-4-8(16)7(5-9(6)17)12(13,14)15/h4-5H,17H2,1-3H3
InChI key:InChIKey=XHTULNFTRMOALE-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=C(N)C=C(C(F)(F)F)C(I)=C1
Synonyms:
  • Benzoic acid, 2-amino-5-iodo-4-(trifluoromethyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
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