Description

(3-Trifluoromethylphenyl)Diethylphosphonoacetate CAS NO 1365808-97-4 is a high-value organophosphorus compound featuring a trifluoromethylphenyl group, making it a versatile and critical building block in advanced organic synthesis. Its primary value lies in its role as a key intermediate for constructing complex molecules, particularly in the development of active pharmaceutical ingredients (APIs) and agrochemicals. This product is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce phosphonate and fluorinated aromatic functionalities into their target compounds.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, inflammatory diseases, and oncology.
• Agrochemical Synthesis: Used in the production of advanced herbicides, insecticides, and fungicides, where the trifluoromethyl and phosphonate groups enhance biological activity and stability.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized phosphonate-based ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the development of specialty polymers, flame retardants, and surface modifiers where specific fluorine and phosphorus properties are required.
• Cross-Coupling Reactions: Acts as a reagent in Horner-Wadsworth-Emmons (HWE) olefination reactions to synthesize α,β-unsaturated esters and other complex olefins.
• Chemical Biology Probes: Utilized in the design and synthesis of activity-based probes and enzyme inhibitors for biochemical research.

Basic Information

Product Name	(3-Trifluoromethylphenyl)Diethylphosphonoacetate
CAS No.	1365808-97-4
Molecular Formula	C₁₃H₁₆F₃O₄P
Molecular Weight	324.24 g/mol
Synonyms	Diethyl (3-(trifluoromethyl)phenyl)phosphonoacetate; Diethyl [(3-Trifluoromethyl)phenyl]phosphonoacetate; Diethyl (3-Trifluoromethylphenyl)phosphonoacetate; (3-Trifluoromethylphenyl)phosphonoacetic Acid Diethyl Ester; Diethyl (3-Trifluoromethylbenzyl)phosphonoacetate (common misnomer); m-Trifluoromethylphenyl Diethyl Phosphonoacetate; Phosphonoacetic acid, P-[3-(trifluoromethyl)phenyl]-, diethyl ester
EINECS	Contact for details

Quality Control

Every batch of (3-Trifluoromethylphenyl)Diethylphosphonoacetate is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for sensitive synthetic applications. A Certificate of Analysis (COA) detailing purity (typically by HPLC/NMR), identity confirmation, and impurity profile is supplied with each shipment. Our quality commitment supports compliance in cGMP and ISO 9001 environments for pharmaceutical and industrial customers.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.