Methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate
[CAS# 187327-30-6]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyridine compound
• Name: Methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate
• Molecular Formula: C₁₆H₁₄F₃NO₃
• Molecular Weight: 325.28
• CAS Registry Number: 187327-30-6
• SMILES: COC(=O)CC1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.515, Calc.^*
• Boiling Point: 369.3±42.0 ºC (760 mmHg), Calc.^*
• Flash Point: 177.1±27.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335GHS
• Precautionary Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Discovory and Applicatios

Methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate is a synthetic organic compound with important applications in the pharmaceutical and agrochemical industries. The compound has a complex structure and remarkable chemical properties, making it an important molecule for various chemical processes and applications.

The discovery of methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate stems from the search for novel compounds with potential biological activity. Its synthesis involves the strategic assembly of a trifluoromethyl-substituted pyridine ring with a methoxyphenylacetate moiety, resulting in a molecule with enhanced stability and reactivity.

Chemically, it can be described by the molecular formula C17H14F3NO3. The presence of the trifluoromethyl group (CF3) attached to the pyridine ring significantly affects the electronic properties of the molecule, increasing its lipophilicity and metabolic stability. This makes the compound particularly suitable for drug development and agricultural applications.

The compound is generally present as a crystalline solid that is soluble in many organic solvents but has limited solubility in water. Its synthesis usually involves multiple steps, starting from commercially available precursors and employing reactions such as nucleophilic substitution and esterification.

Methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate has been explored in drug development for its potential therapeutic properties. The trifluoromethyl group is known to enhance the biological activity of pharmaceutical compounds, making the molecule a candidate for the development of new drugs, particularly in areas such as anti-inflammatory and anticancer treatments.

In medicinal chemistry, the compound can be used as a precursor or intermediate in the synthesis of prodrugs. Prodrugs are inactive compounds that can be converted into active drugs in vivo, improving bioavailability and reducing side effects. The ester group in the compound can be hydrolyzed in vivo to release the active drug.

The chemical structure of methyl 2-(2-(((6-(trifluoromethyl)pyridin-2-yl)oxy)methyl)phenyl)acetate makes it a promising candidate for the development of herbicides and pesticides. The trifluoromethyl group can enhance the biological activity and environmental stability of agrochemicals, making them more effective and longer-lasting.

The compound may also be used to develop plant growth regulators, substances that affect plant growth and differentiation. Its chemical properties may aid in the design of regulators that increase crop yields and resist environmental stresses.

The trifluoromethyl group contributes to the compound's metabolic stability, reducing degradation rates in biological systems and increasing its efficacy in a variety of applications. The lipophilicity enhances the compound's ability to cross cell membranes, allowing it to interact more effectively with biological targets. The compound's structure allows for a variety of chemical modifications, enabling the synthesis of a wide range of derivatives with potentially diverse biological activities.

While the compound shows great promise, it must be handled with care in the laboratory. Appropriate safety measures include the use of personal protective equipment such as gloves, goggles, and working in a well-ventilated area. The compound should be stored in a cool, dry place away from incompatible substances.