CAS 705250-77-7

Methyl (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-propenoate

Description:

Methyl (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-propenoate, with the CAS number 705250-77-7, is an organic compound characterized by its unique structure that includes a methyl ester functional group and a conjugated double bond. This compound features a propenoate backbone, which contributes to its reactivity, particularly in addition reactions typical of α,β-unsaturated esters. The presence of the 3,5-bis(trifluoromethyl)phenyl substituent significantly influences its electronic properties, enhancing its lipophilicity and potentially affecting its biological activity. The trifluoromethyl groups are known for their electron-withdrawing effects, which can stabilize certain reactive intermediates and alter the compound's reactivity profile. Methyl (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-propenoate may exhibit interesting properties in various applications, including pharmaceuticals, agrochemicals, and materials science, due to its unique structural features. Its synthesis and handling require standard organic chemistry techniques, and safety precautions should be observed due to the presence of fluorinated groups, which can pose environmental and health concerns.

Formula: C₁₂H₈F₆O₂

InChI: InChI=1S/C12H8F6O2/c1-20-10(19)3-2-7-4-8(11(13,14)15)6-9(5-7)12(16,17)18/h2-6H,1H3/b3-2+

InChI key: InChIKey=MRGWQPMEUHGQRY-NSCUHMNNSA-N

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

Synonyms:

• 2-Propenoic acid, 3-[3,5-bis(trifluoromethyl)phenyl]-, methyl ester, (2E)-
• Methyl (2E)-3-[3,5-bis(trifluoromethyl)phenyl]-2-propenoate