Cas no 56004-62-7 ((3-methylthiophen-2-yl)(phenyl)methanone)

(3-Methylthiophen-2-yl)(phenyl)methanone is a high-purity organic compound featuring a thiophene core substituted with a methyl group at the 3-position and a benzoyl moiety at the 2-position. This structural configuration imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its well-defined aromatic and heterocyclic components enhance reactivity in cross-coupling and functionalization reactions. The compound exhibits excellent stability under standard storage conditions, ensuring consistent performance in research and industrial applications. Its versatility as a building block for complex molecular architectures underscores its utility in medicinal chemistry and material science. Available in ≥98% purity, it meets stringent quality requirements for advanced synthetic workflows.
(3-methylthiophen-2-yl)(phenyl)methanone structure
56004-62-7 structure
Product Name:(3-methylthiophen-2-yl)(phenyl)methanone
CAS No:56004-62-7
MF:C12H10OS
MW:202.272202014923
CID:944786
PubChem ID:335615
Update Time:2025-08-05

(3-methylthiophen-2-yl)(phenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (3-Methyl-2-thienyl)phenylmethanone
    • (3-methylthiophen-2-yl)-phenylmethanone
    • (3-methyl-[2]thienyl)-phenyl ketone
    • (3-Methyl-[2]thienyl)-phenyl-keton
    • (3-methylthiophen-2-yl)(phenyl)methanone
    • (3-methyl-thiophen-2-yl)-phenyl-methanone
    • 2-benzoyl-3-methylthiophene
    • 2-Benzoyl-3-methylthiophrn
    • AC1L7HUF
    • AC1Q2GHI
    • NSC345785
    • SureCN2558572
    • CS-0258965
    • Methanone,(3-methyl-2-thienyl)phenyl-
    • DTXSID80319480
    • AB01323744-02
    • DB-198369
    • EN300-71919
    • SCHEMBL2558572
    • G26106
    • NCGC00329997-01
    • Z425400294
    • Methanone, (3-methyl-2-thienyl)phenyl-
    • AKOS009505280
    • NSC-345785
    • 56004-62-7
    • Inchi: 1S/C12H10OS/c1-9-7-8-14-12(9)11(13)10-5-3-2-4-6-10/h2-8H,1H3
    • InChI Key: UIILDZWHBSSNPM-UHFFFAOYSA-N
    • SMILES: S1C=CC(C)=C1C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 202.0453
  • Monoisotopic Mass: 202.04523611g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 208
  • 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: 3.6
  • Topological Polar Surface Area: 45.3?2

Experimental Properties

  • PSA: 17.07
  • LogP: 3.28750

(3-methylthiophen-2-yl)(phenyl)methanone Pricemore >>

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(3-methylthiophen-2-yl)(phenyl)methanone Related Literature

Additional information on (3-methylthiophen-2-yl)(phenyl)methanone

Introduction to (3-methylthiophen-2-yl)(phenyl)methanone and Its Significance in Modern Chemical Research

Compound with the CAS number 56004-62-7, specifically identified as (3-methylthiophen-2-yl)(phenyl)methanone, represents a fascinating subject of study within the realm of organic chemistry. This compound, characterized by its unique molecular structure, has garnered attention due to its potential applications in various scientific domains, including pharmaceuticals, agrochemicals, and material science. The molecular framework of this compound consists of a thiophene ring substituted with a methyl group at the 3-position and an acetylphenyl group, making it a versatile scaffold for further chemical modifications and functionalization.

The structural attributes of (3-methylthiophen-2-yl)(phenyl)methanone contribute to its reactivity and make it a valuable intermediate in synthetic chemistry. The presence of both electron-donating and electron-withdrawing groups within its structure allows for diverse chemical transformations, such as nucleophilic addition, condensation reactions, and cyclization processes. These characteristics have positioned this compound as a key building block in the synthesis of more complex molecules with tailored properties.

In recent years, significant advancements have been made in understanding the role of heterocyclic compounds like thiophene derivatives in medicinal chemistry. The thiophene core is known for its presence in numerous bioactive natural products and pharmaceuticals, owing to its ability to interact with biological targets effectively. Research has demonstrated that modifications at different positions of the thiophene ring can modulate the pharmacological properties of the resulting compounds. For instance, studies have shown that substituents at the 2- and 3-positions can influence the binding affinity and metabolic stability of thiophene-based molecules.

The compound (3-methylthiophen-2-yl)(phenyl)methanone has been explored in several contexts, particularly in the development of novel therapeutic agents. Its molecular structure allows for easy derivatization into more complex scaffolds that can target specific biological pathways. For example, researchers have investigated its potential as a precursor in synthesizing kinase inhibitors, which are crucial in treating various cancers and inflammatory diseases. The acetylphenyl moiety provides a site for further functionalization, enabling the attachment of pharmacophores that enhance binding to protein targets.

Moreover, the applications of this compound extend beyond pharmaceuticals into the realm of material science. Thiophene derivatives are known for their electronic properties, making them suitable candidates for organic semiconductors and conductive polymers. The introduction of a methyl group at the 3-position and an acetylphenyl group at the 2-position enhances the electronic characteristics of the molecule, potentially improving its performance in electronic devices. This dual functionality has sparked interest in exploring its utility as a component in organic light-emitting diodes (OLEDs) and other advanced materials.

The synthesis of (3-methylthiophen-2-yl)(phenyl)methanone itself is an intriguing aspect that has been studied extensively. Various synthetic routes have been developed to access this compound efficiently while maintaining high yields and purity. One common approach involves the Friedel-Crafts acylation of 3-methylthiophene with benzoyl chloride in the presence of a Lewis acid catalyst. This method is favored due to its simplicity and scalability, making it suitable for industrial applications where large quantities of the compound are required.

In conclusion, compound CAS no.56004-62-7, identified as (3-methylthiophen-2-yl)(phenyl)methanone, is a multifaceted molecule with significant potential in various fields of chemistry. Its unique structural features make it an excellent candidate for further research and development in pharmaceuticals, agrochemicals, and materials science. As our understanding of heterocyclic chemistry continues to evolve, compounds like this one will undoubtedly play a pivotal role in shaping future advancements across multiple scientific disciplines.

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