CAS 1311254-45-1

1,3-Diethyl 2-methyl-2-[3-nitro-4-(trifluoromethyl)phenyl]propanedioate

Description:

1,3-Diethyl 2-methyl-2-[3-nitro-4-(trifluoromethyl)phenyl]propanedioate is an organic compound characterized by its complex structure, which includes a diethyl ester functional group, a methyl group, and a nitro-substituted aromatic ring with a trifluoromethyl group. This compound typically exhibits properties associated with esters, such as being relatively non-polar and having moderate solubility in organic solvents. The presence of the nitro and trifluoromethyl groups can enhance its reactivity and influence its electronic properties, making it potentially useful in various chemical applications, including as an intermediate in organic synthesis or in the development of pharmaceuticals. The trifluoromethyl group often imparts unique characteristics, such as increased lipophilicity and altered biological activity. Additionally, the compound may exhibit specific melting and boiling points, stability under certain conditions, and potential toxicity, which are important considerations for handling and application. As with any chemical substance, safety data sheets should be consulted for proper handling and risk assessment.

Formula: C₁₅H₁₆F₃NO₆

InChI: InChI=1S/C15H16F3NO6/c1-4-24-12(20)14(3,13(21)25-5-2)9-6-7-10(15(16,17)18)11(8-9)19(22)23/h6-8H,4-5H2,1-3H3

InChI key: InChIKey=MOYAVKBQHMQBJO-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(C(OCC)=O)(C)C1=CC(N(=O)=O)=C(C(F)(F)F)C=C1

Synonyms:

• 1,3-Diethyl 2-methyl-2-[3-nitro-4-(trifluoromethyl)phenyl]propanedioate
• Propanedioic acid, 2-methyl-2-[3-nitro-4-(trifluoromethyl)phenyl]-, 1,3-diethyl ester