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CAS 1239964-17-0

:

tert-Butyl 3,5-difluoro-4-(hydroxymethyl)benzoate

Description:
Tert-Butyl 3,5-difluoro-4-(hydroxymethyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. The presence of the tert-butyl group enhances its lipophilicity, making it more soluble in organic solvents. The difluoro substituents at the 3 and 5 positions of the aromatic ring contribute to its unique reactivity and potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The hydroxymethyl group at the 4-position introduces a polar functional group, which can participate in hydrogen bonding, influencing the compound's physical properties such as boiling and melting points. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for further research in drug development. Additionally, its synthesis and stability under various conditions are important considerations for practical applications. Overall, tert-Butyl 3,5-difluoro-4-(hydroxymethyl)benzoate represents a versatile structure in organic chemistry with potential utility in various fields.
Formula:C12H14F2O3
InChI:InChI=1S/C12H14F2O3/c1-12(2,3)17-11(16)7-4-9(13)8(6-15)10(14)5-7/h4-5,15H,6H2,1-3H3
InChI key:InChIKey=UQXHOULFCLJBCV-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(F)=C(CO)C(F)=C1
Synonyms:
  • tert-Butyl 3,5-difluoro-4-(hydroxymethyl)benzoate
  • Benzoic acid, 3,5-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
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