Chemical Structure and Physicochemical Properties

1-[3-(3-Chloro-4-Methylphenyl)phenyl]ethanone (CAS registry pending verification; Aladdin SKU C299660) belongs to the biaryl ketone family. Its molecular formula is C₁₅H₁₃ClO, giving a molecular weight of approximately 244.72 g/mol. The compound features a central meta-substituted phenyl ring bearing an acetyl (–COCH₃) group at the 1-position, linked at its 3-position to a second aromatic ring that carries a chloro substituent at the 3'-position and a methyl group at the 4'-position.

The ketone carbonyl confers electrophilic reactivity and UV chromophore character useful for spectroscopic identification. The aryl chloride moiety serves as a handle for transition-metal-catalyzed cross-coupling reactions, while the methyl group modulates the electron density of the distal ring. Expected physicochemical properties include moderate lipophilicity (logP estimated >3, consistent with polyaromatic halogenated ketones) and solid or low-melting-point character; precise melting point and solubility data should be confirmed from the Certificate of Analysis supplied with each lot.

Synthesis Routes and Common Reaction Applications

Biaryl ketones of this structural class are typically prepared via Suzuki–Miyaura cross-coupling of a halogenated acetophenone boronic acid partner with an appropriate aryl halide, or alternatively through Friedel–Crafts acylation sequences followed by biaryl bond formation. The aryl chloride group present in 1-[3-(3-Chloro-4-Methylphenyl)phenyl]ethanone makes it a candidate substrate for further palladium- or nickel-catalyzed cross-coupling reactions (Suzuki, Negishi, Buchwald–Hartwig amination), enabling elaboration into more complex target molecules.

The ketone functionality can undergo standard transformations including: reductive amination to yield benzylamines, Baeyer–Villiger oxidation to form aryl esters, Wittig or Horner–Wadsworth–Emmons olefination, and condensation reactions to form chalcones or heterocyclic scaffolds. These versatile reaction pathways underline the utility of C299660 as a multi-purpose building block in discovery-phase medicinal chemistry.

Handling, Storage, and Safety Guidelines

Personal Protective Equipment (PPE): Handle 1-[3-(3-Chloro-4-Methylphenyl)phenyl]ethanone using standard laboratory PPE including nitrile gloves, safety goggles, and a laboratory coat. Operations generating dust or aerosols should be conducted inside a fume hood.

Storage: Store in a tightly sealed container in a cool, dry, well-ventilated area away from incompatible materials such as strong oxidizers and strong bases. Refrigeration (2–8 °C) is recommended for long-term stability unless otherwise stated on the product label or Certificate of Analysis. Keep away from heat sources and direct sunlight.

Disposal: Dispose of waste material in accordance with local, regional, and national regulations governing halogenated organic compounds. Do not pour down the drain.

First Aid: In case of skin or eye contact, flush immediately with copious water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air. Refer to the product Safety Data Sheet (SDS) for complete hazard information before use.

Quality Specifications and Ordering Information

Aladdin Scientific supplies 1-[3-(3-Chloro-4-Methylphenyl)phenyl]ethanone under SKU C299660. Each lot is accompanied by a Certificate of Analysis (CoA) documenting identity confirmation (typically by NMR and/or HPLC), purity (≥95% or as specified), and physical characterization data. Researchers should review the CoA before use to confirm suitability for their specific application.

For bulk quantities, custom packaging, or additional analytical data (e.g., chiral purity, residual solvent analysis), contact Aladdin Scientific customer service. Pricing, available pack sizes, and current stock status are listed on the product page. Volume discounts may be available for institutional or recurring orders; inquire via the Aladdin procurement portal or your regional sales representative.

Research Context and Literature Background

Biaryl ketones are an extensively studied compound class in medicinal chemistry due to their prevalence as pharmacophores and synthetic intermediates in the preparation of kinase inhibitors, anti-inflammatory agents, and advanced materials. The acetophenone core is a common motif in biologically active molecules and serves as a precursor to chiral alcohol APIs via asymmetric reduction.

The 3-chloro-4-methylphenyl (tolyl chloride) substituent pattern is frequently encountered in pharmaceutical candidates and agrochemical leads, where the halogen provides sites for further functionalization and the methyl group fine-tunes lipophilicity and metabolic stability. Researchers working in target-based drug discovery, fragment-based screening, or diversity-oriented synthesis will find C299660 a convenient starting material or reference compound. Specific literature references citing this exact compound are subject to verification; researchers are encouraged to perform a current SciFinder or Reaxys search for the most up-to-date applications.