Cas no 145508-90-3 (1,2-Benzisoxazole,5-methoxy-3-methyl-)

1,2-Benzisoxazole,5-methoxy-3-methyl- is a heterocyclic organic compound featuring a benzisoxazole core substituted with a methoxy group at the 5-position and a methyl group at the 3-position. This structure imparts unique chemical properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The methoxy and methyl substituents enhance its reactivity and selectivity in various transformations, such as nucleophilic substitutions or coupling reactions. Its stability under standard conditions ensures ease of handling and storage. The compound is particularly useful in the development of bioactive molecules due to its ability to serve as a versatile scaffold for further functionalization.
1,2-Benzisoxazole,5-methoxy-3-methyl- structure
145508-90-3 structure
Product Name:1,2-Benzisoxazole,5-methoxy-3-methyl-
CAS No:145508-90-3
MF:C9H9NO2
MW:163.173262357712
CID:101595
PubChem ID:18377499
Update Time:2025-11-01

1,2-Benzisoxazole,5-methoxy-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole,5-methoxy-3-methyl-
    • 5-methoxy-3-methyl-1,2-Benzisoxazole
    • 5-METHOXY-3-METHYLBENZO[D]ISOXAZOLE
    • 5-METHOXY-3-METHYLBENZODISOXAZOLE
    • 1,2-BENZISOXAZOLE,5-METHOXY-3-METHYL
    • 5-methoxy-3-methylbenzisoxazole
    • 5-methoxy-3-methyl-1,2-benzoxazole
    • 1,2-Benzisoxazole,5-methoxy-3-methyl-(9CI)
    • 1,2-BENZISOXAZOLE, 5-METHOXY-3-METHYL-
    • CXVWRMVSDDIOCG-UHFFFAOYSA-N
    • SY298823
    • 145508-90-3
    • MFCD08669472
    • FT-0738704
    • SCHEMBL6990506
    • AM749
    • AKOS006288052
    • 5-Methoxy-3-methyl-benzo(d)isoxazole
    • MDL: MFCD08669472
    • Inchi: 1S/C9H9NO2/c1-6-8-5-7(11-2)3-4-9(8)12-10-6/h3-5H,1-2H3
    • InChI Key: CXVWRMVSDDIOCG-UHFFFAOYSA-N
    • SMILES: O1C2C=CC(=CC=2C(C)=N1)OC

Computed Properties

  • Exact Mass: 163.06300
  • Monoisotopic Mass: 163.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 35.3?2

Experimental Properties

  • PSA: 35.26000
  • LogP: 2.14480

1,2-Benzisoxazole,5-methoxy-3-methyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI SHAO YUAN SHI JI Co., Ltd.
SY298823-1g
5-Methoxy-3-methylbenzisoxazole
145508-90-3 ≥95%
1g
¥10935.00 2025-04-18

Additional information on 1,2-Benzisoxazole,5-methoxy-3-methyl-

Recent Advances in the Study of 1,2-Benzisoxazole,5-methoxy-3-methyl- (CAS: 145508-90-3) in Chemical Biology and Pharmaceutical Research

The compound 1,2-Benzisoxazole,5-methoxy-3-methyl- (CAS: 145508-90-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief aims to synthesize the latest findings on this compound, focusing on its synthesis, biological activity, and potential applications in drug development.

Recent studies have highlighted the role of 1,2-Benzisoxazole,5-methoxy-3-methyl- as a key intermediate in the synthesis of novel bioactive molecules. Its structural framework, characterized by a benzisoxazole core with methoxy and methyl substituents, has been shown to interact with various biological targets, including enzymes and receptors involved in neurological and inflammatory pathways. This has spurred interest in its potential as a scaffold for designing new drugs.

One of the most notable advancements in this area is the development of efficient synthetic routes for 1,2-Benzisoxazole,5-methoxy-3-methyl-. Researchers have reported improved yields and selectivity using catalytic methods, which are crucial for scaling up production for preclinical and clinical studies. Additionally, computational studies have provided insights into the compound's binding modes and interactions with target proteins, further guiding its optimization.

In terms of biological activity, recent in vitro and in vivo studies have demonstrated that derivatives of 1,2-Benzisoxazole,5-methoxy-3-methyl- exhibit promising pharmacological properties. For instance, some analogs have shown potent inhibitory effects on specific kinases and proteases, suggesting potential applications in treating cancers and autoimmune diseases. Moreover, the compound's metabolic stability and low toxicity profile make it an attractive candidate for further development.

Despite these promising findings, challenges remain in fully elucidating the compound's mechanism of action and optimizing its pharmacokinetic properties. Ongoing research is focused on addressing these gaps, with particular emphasis on structure-activity relationship (SAR) studies and the development of more potent and selective derivatives. Collaborative efforts between academic institutions and pharmaceutical companies are expected to accelerate progress in this area.

In conclusion, 1,2-Benzisoxazole,5-methoxy-3-methyl- (CAS: 145508-90-3) represents a versatile and promising compound in chemical biology and drug discovery. Its unique structural features and biological activities underscore its potential as a lead compound for developing novel therapeutics. Future research should prioritize translational studies to bridge the gap between laboratory findings and clinical applications, ultimately contributing to advancements in human health.

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