Cas no 10531-82-5 (7-Methylbenzo[d]oxazole)

7-Methylbenzo[d]oxazole is a versatile heterocyclic compound with distinct aromatic properties. Its unique structure allows for various synthetic transformations, making it a valuable intermediate in organic synthesis. This compound exhibits high stability and low reactivity, enabling efficient reactions with a wide range of functional groups. Its distinct properties make it an essential building block in the development of novel pharmaceuticals, agrochemicals, and materials.
7-Methylbenzo[d]oxazole structure
7-Methylbenzo[d]oxazole structure
Product Name:7-Methylbenzo[d]oxazole
CAS No:10531-82-5
MF:C8H7NO
MW:133.147281885147
CID:1038753
PubChem ID:22486178
Update Time:2025-07-14

7-Methylbenzo[d]oxazole Chemical and Physical Properties

Names and Identifiers

    • 7-Methylbenzo[d]oxazole
    • 10531-82-5
    • 7-methyl-1,3-benzoxazole
    • SCHEMBL289180
    • DB-156698
    • A896037
    • 7-methylbenzoxazole
    • DTXSID20626089
    • MDL: MFCD19374433
    • Inchi: 1S/C8H7NO/c1-6-3-2-4-7-8(6)10-5-9-7/h2-5H,1H3
    • InChI Key: JEMHCGAIQBUYDF-UHFFFAOYSA-N
    • SMILES: O1C=NC2=CC=CC(C)=C12

Computed Properties

  • Exact Mass: 133.052763847g/mol
  • Monoisotopic Mass: 133.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 126
  • 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: 2.1
  • Topological Polar Surface Area: 26?2

7-Methylbenzo[d]oxazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM130397-1g
7-methylbenzo[d]oxazole
10531-82-5 95%
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$297 2021-08-05
Chemenu
CM130397-1g
7-methylbenzo[d]oxazole
10531-82-5 95%
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Additional information on 7-Methylbenzo[d]oxazole

Introduction to 7-Methylbenzo[d]oxazole (CAS No. 10531-82-5)

7-Methylbenzo[d]oxazole, identified by the Chemical Abstracts Service Number (CAS No.) 10531-82-5, is a heterocyclic organic compound that has garnered significant attention in the field of pharmaceutical and chemical research due to its versatile structural properties and potential biological activities. This compound belongs to the benzodioxole class, characterized by a fused benzene ring and an oxygen-containing heterocycle, with a methyl substituent at the 7-position of the benzene ring. The unique structural framework of 7-Methylbenzo[d]oxazole makes it a valuable scaffold for the development of novel therapeutic agents, particularly in the areas of medicinal chemistry and drug discovery.

The chemical structure of 7-Methylbenzo[d]oxazole consists of a benzene ring fused with a 1,4-dioxole (or oxazole) ring, with a methyl group attached to the benzene ring at the 7-position. This substitution pattern imparts distinct electronic and steric properties to the molecule, influencing its reactivity and interaction with biological targets. The presence of both aromatic and heterocyclic moieties enhances its potential as a pharmacophore, making it an attractive candidate for further exploration in synthetic chemistry and pharmacological studies.

In recent years, 7-Methylbenzo[d]oxazole has been extensively studied for its pharmacological properties. Research has demonstrated its potential as an intermediate in the synthesis of various bioactive compounds, including those with antimicrobial, anti-inflammatory, and anticancer effects. The compound’s ability to modulate biological pathways makes it a promising candidate for drug development. For instance, studies have shown that derivatives of 7-Methylbenzo[d]oxazole can interact with specific enzymes and receptors, leading to therapeutic effects.

One of the most compelling aspects of 7-Methylbenzo[d]oxazole is its role as a building block in medicinal chemistry. The structural flexibility of this compound allows chemists to modify its core scaffold in numerous ways, enabling the creation of libraries of derivatives with tailored biological activities. This has led to several innovative approaches in drug design, where 7-Methylbenzo[d]oxazole derivatives are being explored for their efficacy against various diseases.

Recent advancements in computational chemistry have further enhanced the understanding of 7-Methylbenzo[d]oxazole’s interactions with biological targets. Molecular docking studies have been instrumental in predicting how this compound binds to specific proteins and enzymes, providing insights into its mechanism of action. These computational approaches have accelerated the drug discovery process by allowing researchers to screen large numbers of compounds rapidly.

The synthesis of 7-Methylbenzo[d]oxazole itself is another area of active research. Chemists have developed efficient synthetic routes that enable the production of this compound in high yields and purity. These methods often involve multi-step organic transformations, including cyclization reactions and functional group modifications. The development of scalable synthetic protocols is crucial for translating laboratory discoveries into viable pharmaceutical candidates.

In addition to its pharmaceutical applications, 7-Methylbenzo[d]oxazole has shown promise in materials science. Its unique electronic properties make it suitable for use in organic electronics, such as light-emitting diodes (OLEDs) and photovoltaic cells. The ability to fine-tune these properties through structural modifications opens up new possibilities for developing advanced materials with enhanced performance.

The future prospects for 7-Methylbenzo[d]oxazole are vast and multifaceted. Ongoing research continues to uncover new applications and derivatives that could revolutionize various industries. As our understanding of this compound grows, so does its potential to contribute to scientific and technological advancements.

In conclusion, 7-Methylbenzo[d]oxazole (CAS No. 10531-82-5) is a remarkable compound with significant implications in pharmaceuticals, materials science, and beyond. Its unique structure and versatile reactivity make it a cornerstone in modern chemical research. As scientists continue to explore its potential, we can expect even more groundbreaking discoveries that will shape the future of medicine and technology.

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