Cas no 1205638-74-9 (α-Dimethyl-4-fluoro-α Benzeneacetaldehyde)

α-Dimethyl-4-fluoro-α Benzeneacetaldehyde structure
1205638-74-9 structure
Product Name:α-Dimethyl-4-fluoro-α Benzeneacetaldehyde
CAS No:1205638-74-9
MF:C10H11FO
MW:166.192146539688
CID:2104414
PubChem ID:82074750
Update Time:2025-07-14

α-Dimethyl-4-fluoro-α Benzeneacetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(4-fluorophenyl)-2-methylpropanal
    • 2-(4-Fluoro-phenyl)-2-methyl-propionaldehyde
    • JQVFVJIMDSFBOR-UHFFFAOYSA-N
    • Benzeneacetaldehyde,4-fluoro-alpha,alpha-dimethyl-
    • Benzeneacetaldehyde, 4-fluoro-alpha,alpha-dimethyl-
    • CID 82074750
    • Benzeneacetaldehyde, 4-fluoro-α,α-dimethyl-
    • α-Dimethyl-4-fluoro-α Benzeneacetaldehyde
    • Inchi: 1S/C10H11FO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
    • InChI Key: JQVFVJIMDSFBOR-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C(C=O)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 157
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.054±0.06 g/cm3(Predicted)
  • Boiling Point: 218.7±15.0 °C(Predicted)

α-Dimethyl-4-fluoro-α Benzeneacetaldehyde Pricemore >>

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Additional information on α-Dimethyl-4-fluoro-α Benzeneacetaldehyde

Comprehensive Overview of α-Dimethyl-4-fluoro-α Benzeneacetaldehyde (CAS No. 1205638-74-9): Properties, Applications, and Industry Insights

α-Dimethyl-4-fluoro-α Benzeneacetaldehyde (CAS No. 1205638-74-9) is a fluorinated aromatic aldehyde with significant relevance in pharmaceutical and fine chemical synthesis. This compound, characterized by its fluoro-substituted benzene ring and dimethylacetaldehyde functional group, has garnered attention for its unique reactivity and potential applications in drug discovery. Recent trends in AI-driven molecular design and green chemistry have amplified interest in such structurally versatile intermediates, particularly as researchers explore fluorine-containing bioactive molecules for targeted therapies.

The molecular structure of CAS 1205638-74-9 features a strategic 4-fluoro substitution on the benzene ring, which enhances electron-withdrawing properties and influences π-stacking interactions—a feature frequently exploited in kinase inhibitor development. Analytical studies using NMR spectroscopy and HPLC-MS confirm its high purity (>98%), making it suitable for high-throughput screening platforms. Industry reports highlight its growing use in catalyzed cross-coupling reactions, where its aldehyde group serves as a key handle for C-C bond formation in fragment-based drug design.

From an applications perspective, α-Dimethyl-4-fluoro-α Benzeneacetaldehyde demonstrates remarkable versatility. In agrochemical research, derivatives of this compound show promise as precursors for plant growth regulators, aligning with the global push for sustainable agriculture. The fluorine atom contributes to improved metabolic stability—a property highly sought after in crop protection agents. Meanwhile, material scientists are investigating its incorporation into liquid crystal formulations, where its dipole moment enhances electro-optical performance in display technologies.

Environmental and safety profiles of 1205638-74-9 comply with REACH regulations, with biodegradability studies indicating moderate persistence. Its thermal stability (decomposition >200°C) makes it suitable for industrial-scale processes, though proper vapor containment systems are recommended during handling. Recent life cycle assessment studies compare favorably against non-fluorinated analogs, addressing concerns about fluorochemical sustainability—a hot topic in ESG-focused investment circles.

Synthetic methodologies for α-Dimethyl-4-fluoro-α Benzeneacetaldehyde continue to evolve. A 2023 continuous flow chemistry publication demonstrated a 40% yield improvement over batch processes, utilizing palladium nanocatalysts. Such advancements align with the pharmaceutical industry's shift toward Industry 4.0 manufacturing. Patent analysis reveals growing IP activity around derivatization techniques, particularly for chiral resolution applications in asymmetric synthesis.

The commercial landscape for CAS 1205638-74-9 reflects expanding demand, with custom synthesis providers offering kilogram-scale quantities under GMP-like conditions. Pricing trends correlate with fluoroaromatic market dynamics, while supply chain analyses highlight regional production clusters in specialty chemical hubs like Hyderabad and Shanghai. Analytical certificates typically include residual solvent profiles and genotoxic impurity testing—key quality parameters for regulatory submissions.

Future research directions may explore its potential in proteolysis-targeting chimeras (PROTACs) or as a building block for PET radiotracer development. The compound's structure-activity relationships in GPCR modulation also warrant investigation, given the fluoro effect on receptor binding kinetics. As computational chemistry tools become more sophisticated, in silico predictions of its metabolite pathways could further streamline development workflows.

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