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Diethyl 4-(Trifluoromethyl)Benzylphosphonate CAS NO 99578-68-4


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CAS No.:99578-68-4

Grade:Pharmacy Grade

Content:99.9%

Brand:Customizable

Packaging:Customizable

Description

Diethyl 4-(Trifluoromethyl)Benzylphosphonate is a high-value organophosphorus compound that serves as a versatile synthetic intermediate in advanced chemical manufacturing. Its core value lies in the trifluoromethyl-benzylphosphonate moiety, which is critical for introducing lipophilicity and metabolic stability into target molecules. This product is essential for R&D and production chemists in the pharmaceutical and agrochemical industries, particularly for constructing complex molecules via key reactions like the Horner-Wadsworth-Emmons olefination.

Application

  • Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), especially those requiring a trifluoromethylphenyl group to enhance bioavailability and binding affinity.
  • Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the phosphonate group acts as a precursor for phosphonic acid derivatives.
  • Ligand & Catalyst Preparation: Serves as a precursor for phosphine oxide and related ligands used in asymmetric catalysis and transition metal complexes.
  • Material Science Research: Employed in the development of specialty polymers, flame retardants, and surface modifiers where specific fluorine and phosphorus functionalities are desired.
  • Organic Synthesis Reagent: Utilized in carbon-carbon bond forming reactions, such as the Horner-Wadsworth-Emmons reaction, to generate alkenes with high stereoselectivity.

Basic Information

Product Name Diethyl 4-(Trifluoromethyl)Benzylphosphonate
CAS No. 99578-68-4
Molecular Formula C₁₂H₁₆F₃O₃P
Molecular Weight 296.22 g/mol
Synonyms Diethyl [(4-(trifluoromethyl)phenyl]methyl]phosphonate; Diethyl (4-Trifluoromethylbenzyl)phosphonate; (4-Trifluoromethylbenzyl)phosphonic Acid Diethyl Ester; Benzylphosphonic Acid, 4-(Trifluoromethyl)-, Diethyl Ester; Diethyl P-[(α,α,α-Trifluoro-p-tolyl)]methyl]phosphonate; Diethyl (4-Trifluoromethylbenzyl)phosphonate; Phosphonic Acid, P-[(4-(Trifluoromethyl)phenyl)methyl]-, Diethyl Ester
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Quality Control

Our Diethyl 4-(Trifluoromethyl)Benzylphosphonate is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing including HPLC for purity, NMR and IR for structural confirmation, and GC for residual solvent analysis to ensure it meets stringent specifications for sensitive synthetic applications. A detailed Certificate of Analysis (COA) is provided with each shipment, and we support compliance with REACH and other global regulatory frameworks.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from strong bases and incompatible materials. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

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%

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

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