Cas no 1190892-20-6 (3,6-Dimethyl-1,2-benzisoxazol-5-amine)
3,6-Dimethyl-1,2-benzisoxazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- 3,6-dimethyl-1,2-Benzisoxazol-5-amine
- 3,6-Dimethyl-1,2-benzisoxazol-5-amine
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- Inchi: 1S/C9H10N2O/c1-5-3-9-7(4-8(5)10)6(2)11-12-9/h3-4H,10H2,1-2H3
- InChI Key: JWFRUXZBKPYQJN-UHFFFAOYSA-N
- SMILES: O1C2C=C(C)C(=CC=2C(C)=N1)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- Topological Polar Surface Area: 52
3,6-Dimethyl-1,2-benzisoxazol-5-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-7905078-0.05g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 0.05g |
$229.0 | 2025-03-21 | |
| Enamine | EN300-7905078-0.1g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 0.1g |
$342.0 | 2025-03-21 | |
| Enamine | EN300-7905078-0.25g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 0.25g |
$487.0 | 2025-03-21 | |
| Enamine | EN300-7905078-0.5g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 0.5g |
$768.0 | 2025-03-21 | |
| Enamine | EN300-7905078-1.0g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 1.0g |
$986.0 | 2025-03-21 | |
| Enamine | EN300-7905078-2.5g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 2.5g |
$1931.0 | 2025-03-21 | |
| Enamine | EN300-7905078-5.0g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 5.0g |
$2858.0 | 2025-03-21 | |
| Enamine | EN300-7905078-10.0g |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95.0% | 10.0g |
$4236.0 | 2025-03-21 | |
| 1PlusChem | 1P0281K0-50mg |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95% | 50mg |
$335.00 | 2023-12-26 | |
| 1PlusChem | 1P0281K0-100mg |
3,6-dimethyl-1,2-benzoxazol-5-amine |
1190892-20-6 | 95% | 100mg |
$485.00 | 2023-12-26 |
3,6-Dimethyl-1,2-benzisoxazol-5-amine Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 3,6-Dimethyl-1,2-benzisoxazol-5-amine
3,6-Dimethyl-1,2-benzisoxazol-5-amine: A Comprehensive Overview
The compound 3,6-Dimethyl-1,2-benzisoxazol-5-amine, identified by the CAS number 1190892-20-6, has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a derivative of the benzisoxazole class, which is known for its unique structural features and versatile applications. Recent studies have highlighted its potential in drug discovery and material science, making it a subject of intense research interest.
The structure of 3,6-Dimethyl-1,2-benzisoxazol-5-amine consists of a benzene ring fused with an isoxazole moiety, with methyl groups at positions 3 and 6 and an amine group at position 5. This arrangement confers the molecule with unique electronic properties and reactivity. Researchers have explored its synthesis through various routes, including oxidative coupling and cyclization reactions. The development of efficient synthetic methodologies has been a focal point in recent studies, aiming to enhance scalability and reduce production costs.
In terms of pharmacological activity, 3,6-Dimethyl-1,2-benzisoxazol-5-amine has shown promising results in preliminary assays targeting various disease states. For instance, studies have demonstrated its potential as an anti-inflammatory agent by modulating key inflammatory pathways. Additionally, its ability to inhibit certain enzymes associated with neurodegenerative diseases has positioned it as a candidate for further exploration in neuroprotective therapies.
The application of computational chemistry tools has significantly advanced our understanding of this compound's properties. Molecular docking studies have revealed its binding affinity to specific protein targets, providing insights into its mechanism of action. Furthermore, quantum chemical calculations have elucidated the electronic distribution within the molecule, which is crucial for predicting its reactivity in different chemical environments.
Recent advancements in green chemistry have also influenced the synthesis and application of 3,6-Dimethyl-1,2-benzisoxazol-5-amine. Researchers have explored eco-friendly synthesis routes that minimize waste and reduce environmental impact. These efforts align with global sustainability goals while maintaining the compound's high purity and functionality.
In conclusion, 3,6-Dimethyl-1,2-benzisoxazol-5-amine represents a compelling example of how modern chemical research can yield compounds with diverse applications. From its structural uniqueness to its potential therapeutic benefits, this compound continues to be a focal point in scientific investigations. As research progresses, it is anticipated that new insights will further unlock its potential across various industries.
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