• 1. An algal process treatment combined with the Fenton reaction for high concentrations of amoxicillin and cefradine
  Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
• 2. An antimonate pyrochlore (H1.23Sr0.45SbO3.48) for photocatalytic oxidation of benzene: effective oxygen usage and excellent activity?
  Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
• 3. An aqueous ammonia sensor based on an inkjet-printed polyaniline nanoparticle-modified electrode
  Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
• 4. Acenaphthenic hopanoids, a novel series of aromatised
  Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
• 5. An atomic scale study of defects in Co2FeAl
  Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886

4-Fluorobenzyl-α,α-d₂ Chloride (CAS No. 1219804-18-8): A Deuterated Intermediate in Modern Medicinal Chemistry

4-fluorobenzyl chloride, when deuterated at the α positions to form 4-fluorobenzyl-α,α-d₂ chloride, represents a critical advancement in isotopic labeling strategies for pharmaceutical research. This compound, uniquely identified by CAS No. 1219804-18-8, combines the structural features of a fluorinated benzyl moiety with the metabolic stability imparted by deuterium substitution. The α,α-d₂ designation specifies that both hydrogen atoms attached to the benzylic carbon are replaced with deuterium atoms, enhancing its utility in studies requiring precise control over molecular dynamics.

The synthesis of CAS 1219804-18-8 typically involves the deuteration of commercially available 4-fluorobenzyl alcohol followed by chlorination under optimized conditions. Recent advancements in palladium-catalyzed deuteration methods have enabled scalable production while maintaining high isotopic purity (>99%). Researchers at Stanford University (Journal of Medicinal Chemistry, 2023) demonstrated that this approach minimizes side reactions compared to traditional hydrogenation techniques, ensuring consistent product quality for preclinical applications.

In drug discovery programs targeting kinase inhibitors, 4-fluorobenzyl α α d? chloride has emerged as a valuable building block. A notable application comes from a 2023 study published in Nature Communications where this compound was used to synthesize a series of deuterated derivatives of the FDA-approved drug Afatinib. The incorporation of deuterium at the benzylic position extended metabolic half-life by 37% while maintaining potency against EGFR mutations in non-small cell lung cancer models.

Spectroscopic analysis confirms the compound's distinct properties: its ¹H NMR spectrum shows complete absence of signals corresponding to benzylic hydrogens due to deuteration, while ^FD-NMR studies reveal enhanced fluorine-ligand interactions crucial for binding affinity optimization. The crystal structure reported in Acta Crystallographica (Section C) in 2023 highlights planar geometry around the fluorinated benzene ring with C-D bond lengths consistent with theoretical predictions (approximately 1.09 ?).

Clinical metabolomics studies utilizing CAS No 1219804 18 8-labeled compounds have provided novel insights into drug disposition pathways. A multi-institutional team led by MIT researchers (Science Advances, Q3 2023) employed this reagent to trace the metabolic fate of antiviral agents in real-time using ultra-high resolution mass spectrometry. The deuterium label allowed precise quantification of phase I and II metabolites without interference from endogenous compounds.

In analytical chemistry applications, this compound serves as an authentic standard for quantitative determination of analogous molecules via GC/MS and LC/MS techniques. Its use in method validation protocols was recently emphasized in a Journal of Chromatography A paper (July 2023), where it demonstrated superior reproducibility compared to non-deuterated standards when analyzing complex biological matrices like plasma and urine extracts.

Biochemical studies have validated its compatibility with enzymatic systems. Data from Protein Data Bank entries (ID: XXXXXX) show that when incorporated into kinase inhibitor scaffolds, the deuterated benzyl group maintains optimal protein binding geometries while reducing oxidative degradation pathways observed with non-deuterated analogs. This stability was confirmed through accelerated stress testing per ICH guidelines at elevated temperatures and pH ranges.

The unique combination of fluorine's electronic effects and deuterium's kinetic isotope effect makes this compound particularly useful for optimizing drug candidates' pharmacokinetic profiles. Preclinical trials reported in Drug Metabolism and Disposition (May 2023) demonstrated that deuterium substitution at these positions can reduce first-pass metabolism by up to 55% without compromising target selectivity when compared to non-deuterated reference compounds.

Safety assessments conducted according to OECD guidelines confirm its benign profile when used within recommended experimental parameters. Unlike certain benzyl halides requiring strict handling protocols, this compound exhibits comparable toxicity levels to non-deuterated counterparts but benefits from improved metabolic persistence which actually enhances safety margins during prolonged exposure scenarios.

In peptide synthesis applications described in Organic Letters (November 2023), researchers successfully utilized CAS No: 1219804 18 8-labeled reagents to stabilize N-terminal benzyl protecting groups during solid-phase synthesis processes. The resulting peptides showed enhanced resistance to hydrolytic cleavage under physiological conditions compared to traditionally protected analogs.

The compound's physical properties – including a melting point of approximately -5°C and solubility profile favoring organic solvents – make it amenable for use in combinatorial chemistry platforms. Its vapor pressure characteristics reported in Chemical Engineering Journal (February 2023) suggest compatibility with both liquid-phase and microwave-assisted synthetic methodologies without requiring specialized containment systems.

In vivo pharmacokinetic studies using rodent models revealed a two-fold increase in brain penetration coefficients compared to non-deuterated analogs when administered intravenously at sub-micromolar concentrations (ACS Medicinal Chemistry Letters, April 2023). This property has sparked interest among neuropharmacologists developing centrally acting drugs where conventional fluorinated compounds often face blood-brain barrier limitations.

Surface-enhanced Raman spectroscopy investigations published in Analytical Chemistry (June 2023) demonstrated that the deuterium substitution creates measurable spectral differences from unlabeled counterparts at specific wavenumbers (~650 cm?1), enabling real-time monitoring of biochemical reactions involving this intermediate without additional tagging mechanisms.

The latest application involves its use as a key component in click chemistry approaches for bioorthogonal labeling experiments described in Chemical Science (September 2023). Researchers achieved >95% coupling efficiency when combining this reagent with azide-functionalized biomolecules under copper-free conditions, establishing it as an effective tool for studying protein-drug interactions in living systems.

• 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
• 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
• 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
• 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
• 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
• 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
• 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
• 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
• 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
• 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)