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CAS 561304-40-3

:

2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid

Description:
2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid, with the CAS number 561304-40-3, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety substituted with both a trifluoromethoxy group and an amino group that is further modified by a dimethylethoxycarbonyl group. This compound exhibits properties typical of benzoic acids, such as acidity due to the carboxylic acid functional group, and it may participate in hydrogen bonding due to the presence of the amino group. The trifluoromethoxy group contributes to its lipophilicity and can influence its reactivity and interaction with biological targets. The presence of the dimethylethoxycarbonyl group suggests potential applications in medicinal chemistry, particularly in drug design, as it may enhance the compound's stability and bioavailability. Overall, this compound's unique functional groups and structural features make it of interest in various chemical and pharmaceutical applications.
Formula:C13H14F3NO5
InChI:InChI=1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19)
InChI key:InChIKey=DYINHAOLKZFJQC-UHFFFAOYSA-N
SMILES:N(C(OC(C)(C)C)=O)C1=C(OC(F)(F)F)C=CC=C1C(O)=O
Synonyms:
  • 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)benzoic acid
  • Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(trifluoromethoxy)-
  • 2-[(tert-Butoxycarbonyl)amino]-3-trifluoromethoxybenzoic acid
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