Cas no 151258-36-5 (4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride)

4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride is a versatile sulfonyl chloride derivative used primarily as a key intermediate in organic synthesis. Its trifluoromethyl and methyl substituents enhance reactivity and selectivity, making it valuable for constructing complex molecules, particularly in pharmaceutical and agrochemical applications. The sulfonyl chloride group facilitates nucleophilic substitution reactions, enabling the introduction of sulfonamide or sulfonate functionalities. The compound's stability under standard handling conditions and compatibility with a range of solvents further contribute to its utility in multistep synthetic routes. Its structural features also allow for fine-tuning of electronic and steric properties in target molecules, supporting the development of specialized chemical entities.
4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride structure
151258-36-5 structure
Product Name:4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS No:151258-36-5
MF:C8H6ClF3O2S
MW:258.645250797272
MDL:MFCD15209709
CID:1024352
PubChem ID:18956556
Update Time:2025-05-19

4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride
    • 3-trifluoromethyl-4-methylbenzenesulphonyl chloride
    • 4-Methyl-3-(trifluoromethyl)benzenesulfonyl chloride
    • 4-Methyl-3-trifluoromethyl-benzenesulfonyl chloride
    • AC1Q2EED
    • AG-C-03770
    • AK109342
    • ANW-73767
    • CTK6B9450
    • KB-242715
    • MFCD15209709
    • 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonylchloride
    • G30731
    • CS-0447028
    • SCHEMBL1762440
    • GS3107
    • 151258-36-5
    • EN300-61383
    • DTXSID00596852
    • BGA25836
    • AS-5991
    • AKOS011049229
    • Benzenesulfonyl chloride, 4-methyl-3-(trifluoromethyl)-
    • DB-340353
    • 4-methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride, AldrichCPR
    • MDL: MFCD15209709
    • Inchi: 1S/C8H6ClF3O2S/c1-5-2-3-6(15(9,13)14)4-7(5)8(10,11)12/h2-4H,1H3
    • InChI Key: QDMYYKYFUZKZKK-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C)=C(C(F)(F)F)C=1)(=O)=O

Computed Properties

  • Exact Mass: 257.9729128g/mol
  • Monoisotopic Mass: 257.9729128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 320
  • 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: 3.2
  • Topological Polar Surface Area: 42.5?2

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4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride Suppliers

Amadis Chemical Company Limited
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(CAS:151258-36-5)4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride
Order Number:A1064592
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 18:30
Price ($):292.0

4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride Related Literature

Additional information on 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride

Introduction to 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS No. 151258-36-5) and Its Applications in Modern Chemical Research

4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride, identified by the Chemical Abstracts Service Number (CAS No.) 151258-36-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of sulfonyl chlorides, which are widely recognized for their utility as intermediates in the synthesis of various biologically active molecules. The presence of both a methyl group and a trifluoromethyl group in its aromatic structure imparts unique electronic and steric properties, making it a valuable building block for the development of novel chemical entities.

The sulfonyl chloride functional group in this molecule is particularly noteworthy, as it serves as a versatile reagent for introducing sulfonamide functionalities into target molecules. Sulfonamides are a crucial class of pharmacophores found in numerous therapeutic agents, including antibiotics, anti-inflammatory drugs, and antiviral medications. The ability to efficiently incorporate sulfonamide groups into drug candidates is therefore of paramount importance in medicinal chemistry.

The trifluoromethyl substituent is another key feature that enhances the compound's appeal in synthetic applications. This group is known to modulate the metabolic stability, lipophilicity, and binding affinity of drug molecules. In particular, trifluoromethyl groups are frequently employed to improve the pharmacokinetic properties of small-molecule drugs, thereby increasing their efficacy and duration of action. The combination of these two substituents in 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride suggests potential applications in the design of next-generation pharmaceuticals.

In recent years, there has been a surge in research focused on developing advanced synthetic methodologies for sulfonyl chlorides. These efforts aim to enhance reaction efficiency, selectivity, and sustainability. One notable development in this area is the use of transition-metal-catalyzed cross-coupling reactions, which have revolutionized the construction of complex organic molecules. The 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride can serve as a critical intermediate in such transformations, enabling the synthesis of structurally diverse compounds with tailored biological activities.

The pharmaceutical industry has been particularly interested in exploring new scaffolds derived from aromatic sulfonyl chlorides. These scaffolds often exhibit improved binding interactions with biological targets, leading to enhanced therapeutic outcomes. For instance, recent studies have demonstrated that sulfonyl chloride derivatives can be effectively utilized in the development of kinase inhibitors, which are essential for treating cancers and inflammatory diseases. The structural features of 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride make it a promising candidate for such applications.

Another emerging area where this compound finds utility is in materials science. Sulfonyl chlorides are known to participate in polymerization reactions, leading to the formation of novel polymeric materials with unique properties. These materials can be engineered for specific applications, such as drug delivery systems or high-performance coatings. The incorporation of both methyl and trifluoromethyl groups into these polymers can further tailor their physical and chemical characteristics, making them suitable for advanced technological applications.

The synthesis of 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride itself is an intricate process that requires precise control over reaction conditions. Modern synthetic approaches often involve multi-step sequences that highlight the compound's reactivity at various functional sites. Advances in computational chemistry have also played a pivotal role in optimizing these synthetic routes by predicting reaction outcomes with high accuracy. This integration of experimental and computational methods has significantly accelerated the discovery and development pipeline for new chemical entities.

In conclusion, 4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS No. 151258-36-5) represents a fascinating compound with broad utility across multiple domains of chemical research. Its unique structural features make it an indispensable tool for medicinal chemists seeking to develop innovative drug candidates, while its reactivity also positions it as a valuable intermediate in materials science applications. As research continues to evolve, it is likely that this compound will play an even more significant role in advancing our understanding and manipulation of complex molecular systems.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:151258-36-5)4-Methyl-3-(trifluoromethyl)benzene-1-sulfonyl chloride
A1064592
Purity:99%
Quantity:1g
Price ($):292.0
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