Cas no 199873-36-4 (2,3-dimethoxybenzenesulfonyl Chloride)

2,3-dimethoxybenzenesulfonyl Chloride structure
199873-36-4 structure
Product Name:2,3-dimethoxybenzenesulfonyl Chloride
CAS No:199873-36-4
MF:C8H9ClO4S
MW:236.672660589218
CID:1393489
PubChem ID:22665537
Update Time:2025-07-21

2,3-dimethoxybenzenesulfonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 2,3-dimethoxybenzenesulfonyl Chloride
    • 199873-36-4
    • 2,3-Dimethoxybenzene-1-sulfonyl chloride
    • AKOS006335974
    • AT12644
    • SCHEMBL1713241
    • DTXSID10627429
    • EN300-761363
    • 2,3-Dimethoxybenzene-1-sulfonylchloride
    • HWBGESNUXOCFIT-UHFFFAOYSA-N
    • 2,3-dimethyoxy benzene sulfonyl chloride
    • Inchi: 1S/C8H9ClO4S/c1-12-6-4-3-5-7(8(6)13-2)14(9,10)11/h3-5H,1-2H3
    • InChI Key: HWBGESNUXOCFIT-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC=C(C=1OC)OC)(=O)=O

Computed Properties

  • Exact Mass: 235.99107
  • Monoisotopic Mass: 235.9910076g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 61?2

Experimental Properties

  • PSA: 52.6

2,3-dimethoxybenzenesulfonyl Chloride Pricemore >>

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Additional information on 2,3-dimethoxybenzenesulfonyl Chloride

Comprehensive Overview of 2,3-Dimethoxybenzenesulfonyl Chloride (CAS No. 199873-36-4): Properties, Applications, and Industry Insights

2,3-Dimethoxybenzenesulfonyl Chloride (CAS No. 199873-36-4) is a specialized sulfonyl chloride derivative widely utilized in organic synthesis and pharmaceutical research. This compound, characterized by its methoxy-substituted benzene ring and reactive sulfonyl chloride group, serves as a critical intermediate for constructing complex molecules. Its molecular formula, C8H9ClO4S, and precise structure make it indispensable in modern chemical workflows, particularly in peptide coupling reactions and heterocyclic compound synthesis.

The growing demand for high-purity sulfonating agents in drug discovery has positioned 2,3-dimethoxybenzenesulfonyl chloride as a sought-after reagent. Researchers frequently inquire about its solubility profile (soluble in dichloromethane, THF, and acetonitrile) and storage conditions (recommended at 2-8°C under inert atmosphere). Recent studies highlight its role in developing kinase inhibitors and antibody-drug conjugates (ADCs), aligning with trends in targeted cancer therapies and precision medicine.

From an industrial perspective, CAS 199873-36-4 demonstrates remarkable versatility. It participates in nucleophilic substitution reactions to create sulfonamides, a class of compounds prevalent in agrochemical formulations and material science additives. Manufacturers emphasize its low moisture sensitivity compared to analogous compounds, reducing handling challenges during large-scale production. Analytical techniques like HPLC purity testing (typically >98%) and NMR spectral data (δ 7.5-7.8 ppm for aromatic protons) ensure quality control across batches.

Environmental and regulatory considerations for 2,3-dimethoxybenzenesulfonyl chloride frequently appear in scientific discourse. The compound's biodegradation pathways and waste treatment protocols comply with REACH regulations, addressing concerns about green chemistry implementation. Innovations in continuous flow chemistry have improved its synthesis efficiency, reducing solvent waste by 40% compared to batch processes—a response to the pharmaceutical industry's push for sustainable manufacturing.

Emerging applications in electronic materials have expanded the relevance of 199873-36-4. Its incorporation into photoacid generators (PAGs) for semiconductor lithography demonstrates cross-industry utility. Technical documents often highlight its thermal stability (decomposition >150°C) and compatibility with UV curing systems, making it valuable for advanced polymer coatings. These developments correlate with rising searches for high-performance material precursors in electronics manufacturing.

Quality benchmarks for 2,3-dimethoxybenzenesulfonyl chloride continue to evolve. Leading suppliers now provide GC-MS certified reference standards and residual solvent analysis reports, catering to stringent GMP requirements. The compound's crystallization behavior and polymorphism studies have gained attention, particularly for formulation scientists optimizing solid-state properties of active pharmaceutical ingredients (APIs).

Market analysis indicates steady growth for CAS 199873-36-4, driven by expanding contract research organizations (CROs) and generic drug development pipelines. Patent landscapes reveal its use in prodrug technologies and bioconjugation strategies, answering frequent queries about innovative drug delivery systems. The compound's structure-activity relationship (SAR) in medicinal chemistry remains a focal point for academic and industrial researchers alike.

Technical support resources for 2,3-dimethoxybenzenesulfonyl chloride now include computational chemistry predictions for reaction outcomes and process optimization guidelines. These advancements address common challenges in selective sulfonylation and competing side reactions. The development of stable crystalline forms has significantly improved logistics for global distribution, with specialized temperature-controlled packaging solutions becoming industry standard.

Future research directions for 199873-36-4 may explore its potential in metal-organic frameworks (MOFs) and catalytic systems, areas generating substantial scientific interest. The compound's electron-withdrawing characteristics and steric effects present opportunities in asymmetric synthesis, aligning with trends toward chiral auxiliaries development. These applications reinforce its status as a multifaceted building block in contemporary chemical science.

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