CAS 1237535-82-8

1,1-Dimethylethyl 3-formyl-5-(trifluoromethyl)benzoate

Description:

1,1-Dimethylethyl 3-formyl-5-(trifluoromethyl)benzoate, identified by its CAS number 1237535-82-8, is an organic compound characterized by its complex structure, which includes a benzoate moiety substituted with both a formyl group and a trifluoromethyl group. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing the compound's reactivity and potential applications in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. The dimethyl group contributes to steric hindrance, influencing the compound's physical properties, such as boiling and melting points, as well as its solubility in different solvents. This compound may exhibit interesting biological activities due to its structural features, making it a subject of interest in medicinal chemistry. Additionally, its stability under standard conditions and potential for functionalization make it a valuable intermediate in organic synthesis. As with many fluorinated compounds, it is essential to handle it with care due to potential environmental and health impacts.

Formula: C₁₃H₁₃F₃O₃

InChI: InChI=1S/C13H13F3O3/c1-12(2,3)19-11(18)9-4-8(7-17)5-10(6-9)13(14,15)16/h4-7H,1-3H3

InChI key: InChIKey=OZXQUXNMBFUPKE-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C1=CC(C(F)(F)F)=CC(C=O)=C1

Synonyms:

• Benzoic acid, 3-formyl-5-(trifluoromethyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 3-formyl-5-(trifluoromethyl)benzoate