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CAS 866625-12-9

:

1,1-Dimethylethyl 3-fluoro-4-formylbenzoate

Description:
1,1-Dimethylethyl 3-fluoro-4-formylbenzoate, identified by its CAS number 866625-12-9, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a 3-fluoro substituent on the aromatic ring, contributing to its unique reactivity and potential applications in organic synthesis. The presence of the formyl group (–CHO) indicates that it can participate in various chemical reactions, such as nucleophilic additions or condensation reactions. The tert-butyl group (1,1-dimethylethyl) enhances the steric bulk around the reactive sites, which can influence the compound's reactivity and solubility in different solvents. This compound may be of interest in medicinal chemistry and materials science due to its structural features, which can be modified for specific applications. As with many organic compounds, safety precautions should be taken when handling it, and its properties should be thoroughly evaluated in the context of its intended use.
Formula:C12H13FO3
InChI:InChI=1S/C12H13FO3/c1-12(2,3)16-11(15)8-4-5-9(7-14)10(13)6-8/h4-7H,1-3H3
InChI key:InChIKey=XGBUSIWKMBMZGV-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC(F)=C(C=O)C=C1
Synonyms:
  • 1,1-Dimethylethyl 3-fluoro-4-formylbenzoate
  • Benzoic acid, 3-fluoro-4-formyl-, 1,1-dimethylethyl ester
  • 3-Fluoro-4-formylbenzoic acid tert-butyl ester
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