Cas no 1190892-20-6 (3,6-Dimethyl-1,2-benzisoxazol-5-amine)

3,6-Dimethyl-1,2-benzisoxazol-5-amine is a heterocyclic organic compound featuring a benzisoxazole core substituted with methyl groups at the 3- and 6-positions and an amine functional group at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its rigid benzisoxazole scaffold enhances stability, while the amine group offers versatility for further functionalization. The compound is particularly useful in the development of biologically active molecules due to its potential as a building block for drug candidates. High purity and consistent quality ensure reliable performance in research and industrial applications.
3,6-Dimethyl-1,2-benzisoxazol-5-amine structure
1190892-20-6 structure
Product Name:3,6-Dimethyl-1,2-benzisoxazol-5-amine
CAS No:1190892-20-6
MF:C9H10N2O
MW:162.188501834869
CID:2105873
Update Time:2025-05-19

3,6-Dimethyl-1,2-benzisoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 3,6-dimethyl-1,2-Benzisoxazol-5-amine
    • 3,6-Dimethyl-1,2-benzisoxazol-5-amine
    • 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

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.

Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
SunaTech Inc.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD