CAS 1020325-38-5

Diethyl P-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]phosphonate

Description:

Diethyl P-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]phosphonate, identified by its CAS number 1020325-38-5, is an organophosphorus compound characterized by its phosphonate functional group. This substance features a diethyl ester moiety, which contributes to its solubility and reactivity. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, while the pyridine and phenyl rings provide aromatic stability and potential for various interactions. The compound is likely to exhibit properties typical of phosphonates, such as potential use in agricultural applications as a pesticide or herbicide, owing to its ability to interact with biological systems. Additionally, the trifluoromethyl group may impart unique electronic properties, affecting its reactivity and interaction with enzymes or receptors. Safety and handling precautions are essential due to the potential toxicity associated with organophosphorus compounds. Overall, this compound's structure suggests a complex interplay of chemical properties that could be explored for various applications in chemistry and biochemistry.

Formula: C₁₇H₁₉F₃NO₄P

InChI: InChI=1S/C17H19F3NO4P/c1-3-23-26(22,24-4-2)12-13-6-5-7-15(10-13)25-16-9-8-14(11-21-16)17(18,19)20/h5-11H,3-4,12H2,1-2H3

InChI key: InChIKey=QJNXKRIMFBDEFY-UHFFFAOYSA-N

SMILES: C(P(OCC)(OCC)=O)C1=CC(OC2=CC=C(C(F)(F)F)C=N2)=CC=C1

Synonyms:

• [3-[[5-(Trifluoromethyl)-2-pyridyl]oxy]benzyl]phosphonic acid diethyl ester
• Diethyl P-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]phosphonate
• Phosphonic acid, P-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-, diethyl ester