31329-64-3

Basic information

• Product Name: 3,5-Dimethyl-4-isoxazolamine
• Synonyms: TIMTEC-BB SBB005896;AKOS B020738;3,5-DIMETHYL-4-ISOXAZOLAMINE;3,5-DIMETHYL-ISOXAZOL-4-YLAMINE;4-AMINO-3,5-DIMETHYLISOXAZOLE;ART-CHEM-BB B020738;3,5-dimethylisoxazol-4-amine;3,5-Dimethylisoxazole-4-amine
• CAS NO: 31329-64-3
• Molecular Formula: C₅H₈N₂O
• Molecular Weight: 112.13
• Product Categories: Amines;Oxazoles, Isoxazoles & Benzoxazoles;Oxazole&Isoxazole;Oxazoles, Isoxazoles & Benzoxazoles;Building Blocks;Heterocyclic Building Blocks;Isoxazoles;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 31329-64-3.mol
• Article Data: 5

Chemical Properties

• Melting Point: 41-46 °C(lit.)
• Boiling Point: 78-80°C 0,4mm
• Flash Point: 95 °C
• Appearance: /
• Density: 1.118 g/cm³
• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: 1.52
• Storage Temp.: ?20°C
• PKA: 1.59±0.10(Predicted)
• CAS DataBase Reference: 3,5-Dimethyl-4-isoxazolamine(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dimethyl-4-isoxazolamine(31329-64-3)
• EPA Substance Registry System: 3,5-Dimethyl-4-isoxazolamine(31329-64-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• Hazardous Substances Data: 31329-64-3(Hazardous Substances Data)

Usage

Description

3,5-Dimethyl-4-isoxazolamine is an organic compound with the molecular formula C5H8N2O. It is a derivative of isoxazolamine, featuring two methyl groups at the 3rd and 5th positions. 3,5-Dimethyl-4-isoxazolamine serves as an important intermediate in the synthesis of various chemical products and has potential applications in different industries due to its unique chemical properties.

Uses

Used in Chemical Synthesis:
3,5-Dimethyl-4-isoxazolamine is used as a synthetic intermediate for the production of various chemical compounds. Its ability to undergo different chemical reactions makes it a versatile building block in the synthesis of complex molecules.
Used in Pharmaceutical Industry:
3,5-Dimethyl-4-isoxazolamine is used as a key component in the development of pharmaceuticals. Its unique structure allows it to be incorporated into drug molecules, potentially enhancing their efficacy and selectivity.
Used in Dye Synthesis:
In the dye industry, 3,5-Dimethyl-4-isoxazolamine can be used as a starting material for the synthesis of novel dyes with specific color properties. Its reactivity and structural features make it suitable for creating dyes with desired characteristics.
Used in Agricultural Chemicals:
3,5-Dimethyl-4-isoxazolamine may also find applications in the agricultural chemicals sector, where it could be used to develop new pesticides or herbicides with improved performance and selectivity.
Used in Material Science:
3,5-Dimethyl-4-isoxazolamine can be utilized in the development of new materials with specific properties, such as improved strength, durability, or chemical resistance. Its unique chemical structure can contribute to the creation of advanced materials for various applications.

InChI:InChI=1/C5H8N2O/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3

Upstream product

• 1123-49-5 3,5-dimethyl-4-nitroisoxazole 
• 300-87-8 3,5-dimethyl-1,2-oxazole 
• 123-54-6 acetylacetone 

Downstream Products

• 19785-40-1 4-Acetamino-3,5-dimethyl-isoxazol 
• 28824-88-6 N-(3,5-dimethylisoxazol-4-yl)benzamide 
• 64682-95-7 4-amino-N-(3,5-dimethyl-isoxazol-4-yl)-benzenesulfonamide 
• 32907-47-4 1-(5-methyl-1H-[1,2,3]triazol-4-yl)-ethanone 
• 431-03-8 dimethylglyoxal 
• 37469-33-3 phenylpropynoic acid 3,5-dimethyl-isoxazol-4-ylamide 
• 59972-45-1 3,5-dimethyl-3'-phenyl-4,5'-diazenediyl-bis-isoxazole 
• 59972-42-8 4-(3,5-dimethyl-isoxazol-4-ylazo)-3-hydroxy-naphthalene-2-carboxylic acid anilide 
• 92653-76-4 2,2'-[4-(3,5-dimethyl-isoxazol-4-ylazo)-phenylazanediyl]-bis-ethanol 
• 88637-01-8 N-(3,5-dimethylisoxazol-4-yl)-N'-phenylthiourea 
• 91396-22-4 1-(4-chloro-phenyl)-3-(3,5-dimethyl-isoxazol-4-yl)-thiourea 
• 59972-40-6 4-(3,5-dimethyl-isoxazol-4-ylazo)-N,N-dimethyl-aniline 
• 71971-35-2 N-(3,5-dimethyl-isoxazol-4-yl)-2-nitro-benzenesulfonamide 
• 91773-32-9 4-(N,N-Dimethyltriazeno)-3,5-dimethyl-isoxazol 

Relevant articles and documents

Synthesis of 1,3,5-triazinane-2-thiones and 1,3,5-oxadiazinane-4-thiones linked with isoxazoles

Trimolecular condensation of N-(3,5-dimethyl-4-isoxazolyl)N′- arylthioureas 2 obtained from 1 by reaction with arylisothiocyanates, with aqueous formaldehyde and primary amines in toluene under reflux leads to 5-alkyl-1-(3,5-dimethyl-4-isoxazolyl)-3-aryl-hexahydro-1,3,5-triazinane-2- thiones 3 in excellent yields. Condensation of 2 with aqueous formaldehyde under similar condition provides isoxazolyl 1,3,5-oxadiazinane-4thiones 4.

Medicament for viral diseases

Isoxazoles are highly effective anti-viral agents. Combinations of isoxazoles, dihydropyrimidines and/or lamivudine and, optionally, interferon inhibit the proliferation of HBV viruses better than conventional agents.

Transformations in the isoxazole series: Synthesis of substituted 2-aminothiazoles

Substitued N-(isoxazol-4-yl)thioureas 1 undergo a transformation in the presence of hexacarbonylmolybdenum and acid to yield functionalized thiazoles 3 in a one-pot reaction. In a few cases, 1,4,5-trisubstituted dihydroimidazoleth, iones 4 are also isolated as side products. Mechanistic considerations are outlined and scope and limitations of this new methodology discussed.