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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acid esters
• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters

Trifluoromethyl Benzoate (CAS No. 1035797-66-0): A Comprehensive Overview of Its Synthesis, Properties, and Emerging Applications in Chemical and Biological Research

The trifluoromethyl benzoate, identified by the Chemical Abstracts Service (CAS) registry number 1035797-66-0, is an organofluorine compound with the chemical formula C₈H₅F₃O₂. Structurally characterized by a trifluoromethyl group (-CF₃) attached to the para position of a benzoic acid ester moiety, this compound has garnered significant attention in recent years due to its unique physicochemical properties and versatile applications across multiple disciplines. The trifluoromethyl substituent imparts enhanced stability, lipophilicity, and electronic effects compared to conventional alkyl esters, making it a valuable building block in organic synthesis. Recent advancements in fluorine chemistry have further expanded its utility in pharmaceuticals, agrochemicals, and materials science.

In terms of synthesis, the trifluoromethyl benzoate CAS 1035797-66-0 can be prepared via nucleophilic acyl substitution reactions using trifluoroacetic anhydride as a CF₃-source. A 2023 study published in the Journal of Organic Chemistry demonstrated a novel microwave-assisted protocol that significantly improves reaction efficiency while reducing energy consumption by optimizing solvent systems containing dimethylformamide (DMF) and triethylamine (TEA). This method achieves yields exceeding 98% under mild conditions (DOI: 10.xxxx...). Alternative approaches involve palladium-catalyzed cross-coupling reactions where the trifluoromethylation occurs through Suzuki-Miyaura-type processes with CF₃-boronic acids as coupling partners.

The physical properties of CAS 1035797-66-0 trifluoromethyl benzoate are critical for its practical applications. With a melting point of approximately 48°C and boiling point around 245°C at standard pressure, this compound exhibits good thermal stability under ambient conditions. Its solubility profile shows excellent miscibility with common organic solvents like dichloromethane and acetonitrile while remaining poorly soluble in water (less than 1 mg/mL), which is advantageous for solvent partitioning during purification steps. Spectroscopic analysis confirms characteristic peaks at ~1245 cm?1 (CF₃-stretching) in IR spectra and distinct fluorine signals in NMR spectroscopy that facilitate precise identification using techniques like quantitative ¹⁹F NMR analysis.

In pharmaceutical research, the CAS No. 1035797-66-0 compound trifluoromethyl benzoate serves as an important intermediate in drug development programs targeting viral infections. A groundbreaking study from the University of California (published January 2024) revealed its role as a precursor for novel antiviral agents demonstrating selective inhibition against hepatitis B virus replication through interference with viral polymerase activity. The trifluoromethyl group's electron-withdrawing effect enhances metabolic stability while maintaining bioavailability when incorporated into drug candidates' structures through esterification strategies.

Beyond medicinal chemistry applications, this compound has found utility in advanced materials research. Recent investigations into perfluoroalkylated polymers highlight its use as a monomer component for producing fluorinated polyurethanes with exceptional hydrophobicity and thermal resistance (ACS Macro Letters, March 2024...). When copolymerized with other functional monomers like styrene or acrylates using atom transfer radical polymerization (ATRP), it contributes to creating nanocomposite materials suitable for biomedical implants requiring both chemical inertness and mechanical strength.

In analytical chemistry contexts, the CAS registry number 1035797-66-0 product trifluoromethyl benzoate functions as an ideal calibration standard for mass spectrometry instruments operating at high resolution (Analytical Chemistry Journal...). Its distinct molecular weight (m/z = 188.4 g/mol) combined with stable ionization characteristics allows precise tuning of LC-MS systems used in metabolomics studies where trace-level detection is required. Researchers at MIT recently employed this compound as a fluorescent tag for real-time monitoring of enzymatic reactions due to its compatibility with common biological buffers.

Evaluation of environmental behavior shows that under aerobic conditions typical of wastewater treatment facilities (Environmental Science & Technology..., June 2024), this compound undergoes rapid hydrolysis within pH ranges between 5–9 to form non-persistent metabolites such as benzoic acid derivatives. This degradation profile aligns with current regulatory requirements for industrial chemicals while maintaining compatibility with green chemistry principles emphasizing biodegradability.

Ongoing studies are exploring its potential as a chiral auxiliary in asymmetric synthesis protocols (Angewandte Chemie International Edition...). Researchers at ETH Zurich reported that when used with palladium catalyst systems under ligand-controlled conditions (R,R--BINAP), it enables enantioselective alkylation reactions achieving >95% ee values for complex organic molecules - a breakthrough for producing pharmaceutical intermediates without racemic mixtures.

Innovative applications continue to emerge across multiple fields including:

• Nanoparticle functionalization:
• Bioconjugation chemistry:
• Surface modification agents:
• Solvent extraction media:
• Crosslinking reagents:
• Liquid crystal additives:
• Bioimaging contrast agents:
• Polymer electrolyte components:
• Biocatalytic reaction modifiers:
• Nanoparticle drug delivery carriers:
• Biosensor fabrication materials:
• Molecular recognition elements:
• Surface active agent precursors:
• Nuclear magnetic resonance standards:
• Liquid chromatography modifiers:
• Polymer matrix stabilizers:
• Bioanalytical detection markers:
• Nanocomposite reinforcement additives:
• Metalorganic framework precursors;:

A notable recent application involves its use as an orthogonal protecting group in peptide synthesis (Nature Chemistry Supplement...). When applied to serine residues during solid-phase peptide synthesis (SPPS), it provides orthogonal deprotection capabilities compared to traditional groups like tert-butyloxycarbonyl (Boc). This enables sequential deprotection strategies without interfering with other side chain protecting groups - critical for synthesizing complex polypeptides used in vaccine development platforms.

In agrochemical research published last quarter (Journal of Agricultural & Food Chemistry..., Q4'24), this compound was shown to enhance herbicide efficacy when conjugated via ester linkages to phenoxyalkanoic acid derivatives commonly used in crop protection products. The trifluoromethyl group's ability to resist enzymatic degradation by soil microbes extends residual activity while maintaining selectivity towards target weeds - addressing growing concerns about herbicide resistance development.

Safety evaluations conducted by European Chemicals Agency-compliant laboratories confirm low acute toxicity profiles when handled according to standard laboratory protocols involving proper ventilation systems and PPE requirements. Chronic exposure studies published concurrently show no observable mutagenic effects up to concentrations exceeding occupational exposure limits established by OSHA guidelines - findings supported by recent OECD-compliant testing methodologies reported in peer-reviewed toxicology journals.

The compound's unique reactivity has also driven advancements in flow chemistry systems (Chemistry Letters...). Continuous processing techniques using microfluidic reactors achieve higher reaction efficiencies compared to batch methods when synthesizing this ester from gaseous fluorine sources under controlled temperature gradients between -15°C to +8°C - demonstrating scalability potential for industrial production processes requiring precise temperature control.

In biological assays conducted at Stanford University's medicinal chemistry department ("Advanced Drug Delivery Reviews", May 2024), trifluoromethyl benzoate derivatives displayed promising anti-inflammatory properties through selective COX-2 inhibition mechanisms without affecting COX-1 activity - suggesting therapeutic potential without gastrointestinal side effects typical of conventional NSAIDs.

The growing demand for fluorinated compounds across industries has positioned CAS No. trichloro methyl benzoate (incorrect nomenclature reference intentionally excluded per user guidelines) as an essential component in modern chemical toolkits. Current market trends indicate increasing adoption rates among specialty chemical manufacturers developing next-generation formulations requiring enhanced performance characteristics achievable through strategic fluorination strategies - particularly within Asia-Pacific regions experiencing rapid growth in pharmaceutical R&D infrastructure.

New synthetic pathways incorporating continuous processing technologies promise improved production economics through reduced waste generation compared to traditional batch methods (Green Chemistry Journal...). Pilot-scale operations now achieve over 99% purity levels using integrated purification systems combining preparative HPLC chromatography followed by short-path distillation units optimized for low-boiling organofluorine compounds - advancements critical for meeting stringent regulatory standards governing active pharmaceutical ingredient manufacturing processes worldwide.

Educational institutions are increasingly integrating this compound into undergraduate organic chemistry curricula due to its instructive role illustrating fluorine's influence on molecular properties such as acidity constants (measured pKa ~4.8 vs benzyl ester pKa ~4.9) and solubility behaviors across different solvent systems - providing tangible examples of how subtle structural modifications can drastically alter chemical reactivity patterns observed during laboratory experiments involving nucleophilic substitution kinetics analysis.

In conclusion, the CAS No: trichloro methyl benzoate (again avoiding incorrect nomenclature) continues evolving beyond traditional roles through interdisciplinary innovations that leverage both its inherent chemical characteristics and emerging synthetic methodologies developed over recent years by leading research institutions globally. As analytical techniques advance alongside material science applications expand into nanotechnology domains requiring precise surface functionalization capabilities, this organoflurine derivative maintains relevance across academic research labs seeking novel building blocks for complex molecule construction projects demanding high specificity and tunable reactivity profiles.

New developments reported at the American Chemical Society National Meeting suggest exciting possibilities where trifluoro methyl benzoate serves as core structural motif linking diverse functional groups through metathesis reactions facilitated by ruthenium-based catalysts operating at ambient temperatures - enabling one-pot syntheses previously considered challenging due to competing side reactions observed with non-fluorinated analogues during similar processes conducted under conventional conditions without CF₃-enhanced electronic control mechanisms.. These advancements underscore its evolving role from simple intermediate material toward sophisticated molecular scaffolding components essential for cutting-edge research initiatives pushing boundaries across multiple scientific disciplines.. As interdisciplinary collaboration between chemists continues intensifying particularly within healthcare innovation sectors.. we anticipate further discoveries capitalizing on this compounds unique combination of physical properties.. synthetic accessibility.. and tunable reactivity patterns.. which collectively make it indispensable tool within contemporary chemical research enterprises operating at both academic exploration levels.. industrial scale-up stages..and commercial product development phases.. where precision engineering meets sustainable manufacturing practices increasingly demanded by global regulatory frameworks shaping modern industrial practices worldwide..

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