• 1. Subtle “supramolecular buttressing effects” in Cucurbit[7]uril/guest assemblies
  Roymon Joseph,Eric Masson Org. Biomol. Chem. 2013 11 3116

Comprehensive Analysis of Benzene,1-iodo-3-(methylthio)- (CAS No. 130416-73-8): Properties, Applications, and Industry Trends

The chemical compound Benzene,1-iodo-3-(methylthio)- (CAS No. 130416-73-8) is a specialized aromatic derivative gaining attention in synthetic chemistry and material science. Characterized by its unique iodo and methylthio functional groups, this compound serves as a versatile intermediate in organic synthesis. Its molecular structure, C7H7IS, combines the reactivity of an aryl iodide with the electron-donating properties of a thioether, making it valuable for cross-coupling reactions and pharmaceutical research.

Recent studies highlight the growing demand for halogenated benzene derivatives in agrochemicals and liquid crystal materials. As industries seek sustainable synthetic routes, 130416-73-8 has emerged as a candidate for green chemistry applications. Researchers are exploring its potential in catalyzed Suzuki-Miyaura reactions, where its iodo-substituted benzene core demonstrates superior reactivity compared to bromo or chloro analogs. This aligns with the broader trend toward atom-efficient transformations in modern organic synthesis.

The compound's spectroscopic properties (e.g., distinct 1H NMR shifts at 2.5 ppm for SCH3 and 7.1-7.8 ppm for aromatic protons) facilitate precise reaction monitoring. Analytical techniques like HPLC-MS and GC-FID are commonly employed for purity assessment, addressing the pharmaceutical industry's emphasis on impurity profiling. With melting points ranging 45-48°C and solubility in common organic solvents, Benzene,1-iodo-3-(methylthio)- offers practical handling advantages for industrial-scale applications.

Innovations in heterocyclic compound synthesis have expanded the utility of CAS 130416-73-8. Recent patents disclose its use in preparing thiophene-based semiconductors for OLED devices, responding to the global push for energy-efficient displays. Furthermore, its role in constructing biaryl ether scaffolds meets the demand for antibiotic adjuvants, particularly in addressing antimicrobial resistance (AMR) – a critical focus in current medicinal chemistry research.

Environmental considerations drive interest in the compound's degradation pathways. Advanced oxidation processes (AOPs) studies reveal that the methylthio group undergoes preferential transformation, while the iodo substituent requires specific photocatalytic conditions. These findings contribute to developing benign-by-design chemicals, a principle increasingly prioritized by regulatory bodies like EPA and REACH.

Market analysts note rising procurement inquiries for 130416-73-8 from contract research organizations (CROs) and electronic material manufacturers. The compound's commercial availability in >98% purity supports its adoption in high-throughput screening libraries and organic electronic device prototyping. Quality control protocols typically include residual solvent analysis and heavy metal screening to meet ICH Q3D guidelines for pharmaceutical applications.

Future research directions may explore the compound's potential in click chemistry applications or as a building block for covalent organic frameworks (COFs). The unique electronic effects conferred by the meta-substitution pattern of iodine and methylthio groups offer unexplored opportunities in materials informatics and computational chemistry-assisted molecular design.

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