Cas no 171503-27-8 (2-(4-methylbenzenesulfonyl)benzaldehyde)

2-(4-Methylbenzenesulfonyl)benzaldehyde is a versatile organic compound featuring a benzaldehyde core functionalized with a 4-methylbenzenesulfonyl group. This structure imparts unique reactivity, making it valuable as an intermediate in organic synthesis, particularly in the preparation of sulfonamide derivatives or as a precursor for pharmaceuticals and agrochemicals. The sulfonyl group enhances electrophilic character, facilitating selective reactions at the aldehyde position. Its crystalline solid form ensures stability under standard conditions, while its well-defined molecular structure allows for precise modifications in multi-step syntheses. The compound’s compatibility with various reaction conditions underscores its utility in research and industrial applications requiring tailored aromatic sulfonyl-aldehyde functionalities.
2-(4-methylbenzenesulfonyl)benzaldehyde structure
171503-27-8 structure
Product Name:2-(4-methylbenzenesulfonyl)benzaldehyde
CAS No:171503-27-8
MF:C14H12O3S
MW:260.308282852173
MDL:MFCD03998747
CID:2129183
PubChem ID:894361
Update Time:2025-10-28

2-(4-methylbenzenesulfonyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-[(4-Methylphenyl)sulfonyl]benzaldehyde
    • 2-Tosylbenzaldehyde
    • ORSXVDXFBGUMIE-UHFFFAOYSA-N
    • 2-Formylphenyl 4-methylphenyl sulfone
    • 2-(4-methylphenyl)sulfonylbenzaldehyde
    • 2-(4-methylbenzenesulfonyl)benzaldehyde
    • SY038414
    • 171503-27-8
    • SCHEMBL5879758
    • DB-355379
    • SR-01000266812-1
    • WGA50327
    • AC1648
    • CS-12141
    • CS-0314239
    • MFCD03998747
    • AKOS015842528
    • SR-01000266812
    • MDL: MFCD03998747
    • Inchi: 1S/C14H12O3S/c1-11-6-8-13(9-7-11)18(16,17)14-5-3-2-4-12(14)10-15/h2-10H,1H3
    • InChI Key: ORSXVDXFBGUMIE-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C=O)(C1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 260.05071541g/mol
  • Monoisotopic Mass: 260.05071541g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 374
  • 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
  • Topological Polar Surface Area: 59.6
  • XLogP3: 2.5

2-(4-methylbenzenesulfonyl)benzaldehyde Pricemore >>

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Additional information on 2-(4-methylbenzenesulfonyl)benzaldehyde

2-(4-Methylbenzenesulfonyl)benzaldehyde: A Comprehensive Overview

2-(4-Methylbenzenesulfonyl)benzaldehyde, also known by its CAS number 171503-27-8, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which combines a benzaldehyde moiety with a sulfonyl group attached to a methyl-substituted benzene ring. The combination of these functional groups imparts distinctive chemical and physical properties, making it a valuable compound for various applications.

The molecular structure of 2-(4-Methylbenzenesulfonyl)benzaldehyde is defined by the presence of an aldehyde group (-CHO) on one benzene ring and a sulfonyl group (-SO?-) connected to another methyl-substituted benzene ring. This arrangement creates a molecule with both electron-withdrawing and electron-donating groups, which influence its reactivity and stability. The sulfonyl group, being highly electronegative, contributes to the overall polarity of the molecule, while the methyl group introduces steric effects that can influence the compound's solubility and reactivity.

Recent studies have highlighted the potential of 2-(4-Methylbenzenesulfonyl)benzaldehyde in the development of advanced materials. For instance, researchers have explored its use as a precursor in the synthesis of polycyclic aromatic hydrocarbons (PAHs), which are critical components in organic electronics and optoelectronic devices. The compound's ability to undergo various condensation reactions makes it an ideal building block for constructing complex molecular architectures.

In addition to its role in materials science, 2-(4-Methylbenzenesulfonyl)benzaldehyde has shown promise in medicinal chemistry. Its unique structure allows for interactions with biological molecules, making it a potential candidate for drug design. Recent investigations have focused on its ability to modulate enzyme activity and its potential as a lead compound for developing new therapeutic agents.

The synthesis of 2-(4-Methylbenzenesulfonyl)benzaldehyde typically involves multi-step reactions, including Friedel-Crafts acylation and subsequent oxidation steps. These methods have been optimized to achieve high yields and purity, ensuring that the compound is suitable for both academic research and industrial applications. The development of scalable synthesis routes has further enhanced its accessibility for large-scale production.

From an environmental perspective, the stability and biodegradability of 2-(4-Methylbenzenesulfonyl)benzaldehyde are critical considerations. Studies have shown that the compound exhibits moderate biodegradability under aerobic conditions, which aligns with current sustainability goals in chemical manufacturing. Efforts are ongoing to develop greener synthesis methods that minimize waste and energy consumption.

In conclusion, 2-(4-Methylbenzenesulfonyl)benzaldehyde, with its CAS number 171503-27-8, represents a versatile compound with applications spanning multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application research, positions it as a key player in the development of new materials and therapeutic agents. As research continues to uncover its full potential, this compound is poised to make significant contributions to both scientific innovation and industrial progress.

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