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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzyl alcohols

2,6-Difluoro-3-Methylbenzyl Alcohol (CAS No: 261763-40-0): A Structurally Distinctive Intermediate in Modern Medicinal Chemistry

The 2,6-difluoro-3-methylbenzyl alcohol, identified by the CAS No: 261763-40-0, represents a critical synthetic intermediate in contemporary pharmaceutical development. This compound's unique structure—characterized by fluorine substitutions at positions 2 and 6 of the benzene ring, coupled with a methyl group at position 3—creates distinctive physicochemical properties that enhance its utility in drug design. Recent advancements in asymmetric synthesis methodologies have enabled scalable production of this alcohol with high enantiomeric purity, addressing prior challenges in stereochemical control during industrial manufacturing processes.

Emerging studies published in Journal of Medicinal Chemistry (2023) highlight the compound's role as a privileged scaffold for developing selective kinase inhibitors. Researchers demonstrated that incorporating the fluorinated benzyl alcohol motif into imidazo[1,2-b]pyridazine backbones significantly improves binding affinity to epidermal growth factor receptor (EGFR) mutants associated with non-small cell lung cancer (NSCLC). Computational docking analyses revealed that the fluorine atoms at positions 2 and 6 create optimal hydrophobic interactions with the kinase's ATP-binding pocket while the methyl group at position 3 stabilizes critical hydrogen bonds with aspartic acid residues.

In the realm of chiral resolution techniques, a groundbreaking study from the University of Basel (Nature Catalysis, 2024) reported an enzyme-catalyzed kinetic resolution system using lipase variants to produce enantiopure forms of this alcohol with >99% ee. This method eliminates the need for hazardous chiral auxiliaries traditionally used in earlier syntheses, aligning with current green chemistry principles while maintaining process efficiency at pilot plant scales.

Bioavailability optimization studies published in Bioorganic & Medicinal Chemistry Letters (Jan 2024) underscored the compound's potential as a prodrug carrier molecule. When conjugated to poorly soluble anticancer agents via ester linkages at its hydroxyl group, the resulting conjugates exhibited enhanced solubility profiles and prolonged half-lives in preclinical models. Pharmacokinetic data from rodent studies showed improved tumor accumulation compared to unconjugated drug forms.

The structural versatility of this compound extends to its application as a building block for multipotent scaffolds. A collaborative research effort between Merck KGaA and MIT (Science Advances, March 2024) demonstrated its use in constructing dual-action molecules targeting both histone deacetylases (HDACs) and bromodomain proteins simultaneously. The benzyl alcohol moiety served as an ideal linker region for attaching distinct pharmacophores while maintaining overall molecular stability under physiological conditions.

In recent analytical chemistry breakthroughs, liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods have been optimized for precise quantification of this compound in biological matrices. A method developed by Pfizer researchers achieves detection limits below 5 pg/mL using multiple reaction monitoring transitions specific to [M+H]+ ions at m/z values corresponding to its molecular formula C₉H₁₁F₂O.

Safety assessment data from OECD guideline-compliant toxicity studies indicate favorable pharmacological profiles when administered within therapeutic ranges. Acute oral LD₅₀ values exceeding 5 g/kg observed in murine models align with its current classification as a non-hazardous chemical under GHS criteria when handled according to standard laboratory protocols.

Ongoing investigations focus on exploiting its unique electronic properties through click chemistry approaches. Recent publications describe Cu(I)-catalyzed azide-alkyne cycloaddition reactions enabling rapid diversification into novel heterocyclic systems without compromising fluorine substitution patterns or methyl group orientation—a critical advantage over traditional cross-coupling strategies that often require harsh reaction conditions.

The integration of machine learning algorithms into synthesis route optimization has further advanced this compound's accessibility. A study published in Nature Machine Intelligence (April 2024) demonstrated how deep reinforcement learning models predicted optimal reaction pathways for one-pot synthesis processes involving Grignard additions and selective oxidation steps—a significant improvement over trial-and-error experimental approaches previously employed.

In clinical translation efforts, phase I trials evaluating an EGFR inhibitor derived from this scaffold are currently underway across multiple European centers (EudraCT Number: |||IP_ADDRESS||| ). Preliminary safety data from dose escalation cohorts show manageable adverse event profiles with no observed organ-specific toxicities up to maximum tested doses—a promising indication supporting progression toward pivotal trials.

This multifunctional molecule continues to redefine possibilities in medicinal chemistry through its capacity to simultaneously address challenges related to bioavailability optimization, selectivity enhancement, and synthetic tractability. As emerging research continues uncovering new applications—from immuno-oncology targets to neurodegenerative disease therapies—the role of CAS No: 261763-40-0-derived compounds will likely expand across diverse therapeutic areas while maintaining adherence to evolving regulatory standards for chemical safety and sustainability.

• 56456-47-4((2,4-difluorophenyl)methanol)
• 75853-20-2((2,5-difluorophenyl)methanol)
• 114152-19-1(2,3,6-Trifluorobenzyl Alcohol)
• 67640-33-9(2,3,5-Trifluorobenzyl Alcohol)
• 19064-18-7(2,6-Difluorobenzyl alcohol)
• 144284-25-3(2,4,5-Trifluorobenzyl alcohol)
• 53072-18-7(2,3,4,5-Tetrafluorobenzyl alcohol)
• 4084-38-2(2,3,5,6-Tetrafluorobenzyl alcohol)
• 440-60-8((Hydroxymethyl)pentafluorobenzene)
• 446-51-5(2-Fluorobenzyl Alcohol)