55086-61-8

Basic information

• Product Name: 1-(3-Methyl-5-Isoxazolyl) Ethanone
• Synonyms: 1-(3-Methyl-5-Isoxazolyl) Ethanone;Ethanone, 1-(3-methyl-5-isoxazolyl)-;Methyl 3-methyl-5-isoxazolyl ketone;1-(3-methylisoxazol-5-yl)ethanone;3-Methyl-5-acetylisoxazole
• CAS NO: 55086-61-8
• Molecular Formula: C₆H₇NO₂
• Molecular Weight: 125.12528
• Mol File: 55086-61-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 73-75℃
• Boiling Point: 227℃
• Flash Point: 91℃
• Appearance: /
• Density: 1.104
• Vapor Pressure: 0.081mmHg at 25°C
• Refractive Index: 1.468
• Storage Temp.: 2-8°C
• PKA: -3.29±0.50(Predicted)
• CAS DataBase Reference: 1-(3-Methyl-5-Isoxazolyl) Ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-Methyl-5-Isoxazolyl) Ethanone(55086-61-8)
• EPA Substance Registry System: 1-(3-Methyl-5-Isoxazolyl) Ethanone(55086-61-8)

Safety Data

• Hazardous Substances Data: 55086-61-8(Hazardous Substances Data)

Usage

General Description

1-(3-Methyl-5-Isoxazolyl) Ethanone is a chemical compound with the molecular formula C7H10NO2. It is a ketone derivative containing both a methyl group and an isoxazole ring. 1-(3-Methyl-5-Isoxazolyl) Ethanone is used in the synthesis of various pharmaceuticals and agrochemicals. It is also used as a flavoring agent in the food industry, adding a nutty and fruity aroma to products. Additionally, it has potential applications in the field of organic chemistry as a reagent or intermediate in the preparation of complex organic compounds. Overall, 1-(3-Methyl-5-Isoxazolyl) Ethanone has diverse industrial and research applications due to its unique chemical structure and properties.

InChI:InChI=1/C6H7NO2/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 70753-36-5 3-methylisoxazole-5-carbaldehyde 
• 7064-09-7 5-isopropenyl-3-methyl-isoxazole 
• 62260-34-8 hex-3-ene-2,5-dione dioxime 
• 71502-43-7 (3-methyl-5-isoxazolyl)-1-ethanol 
• 17492-61-4 1-(3-methyl-4,5-dihydro-isoxazol-5-yl)-ethanone 
• 683-58-9 1-chloro-1-(N-hydroxyimino)ethane 
• 1423-60-5 methyl ethynyl ketone 
• 63366-79-0 3-methylisoxazole-5-carboxylic acid ethyl ester 
• 138958-55-1 2-(3-methyl-5-isoxazolyl)-2-propanol 
• 14716-89-3 3-methyl-5-isoxazolemethanol 

Downstream Products

• 61858-87-5 [1-(3-methyl-isoxazol-5-yl)-ethyl]-triphenyl-phosphonium; bromide 
• 104777-32-4 2-bromo-1-(3-methyl-1,2-oxazol-5-yl)ethanone 
• 61859-05-0 (1Z,4Z)-5-Amino-1-(4-methoxy-phenyl)-2-methyl-hexa-1,4-dien-3-one 
• 104777-03-9 asobamast 
• 138958-51-7 4-[2-[2,3-Dihydro-2-(4-fluorophenyl)-2-methyl-3-oxo-5-furanyl]ethenyl]benzonitrile 
• 138958-52-8 2-methyl-2-(4-fluorophenyl)-5-[2-(2-pyridinyl)ethenyl]-3(2H)-furanone 
• 138958-53-9 (E)-2-(4-fluorophenyl)-2-methyl-5-[2-(thien-3-yl)ethenyl]-3(2H)-furanone 
• 138958-50-6 4-[(E)-2-(5-Methyl-4-oxo-5-phenyl-4,5-dihydro-furan-2-yl)-vinyl]-benzonitrile 
• 138958-46-0 2-methyl-2-phenyl-5-[2-(2-pyridinyl)ethenyl]-3(2H)-furanone 
• 138958-48-2 2-Methyl-2-phenyl-5-((E)-2-pyridin-4-yl-vinyl)-furan-3-one 
• 138958-47-1 2-phenyl-2-methyl-5-[2-(3-pyridinyl)ethenyl]-3(2H)-furanone 
• 138958-49-3 (E)-2-methyl-2-phenyl-5-[2-(thien-3-yl)ethenyl]-3(2H)-furanone 
• 133255-53-5 2,5-dimethyl-2-phenyl-3(2H)-furanone 
• 133255-54-6 2-methyl-2-(4-fluorophenyl)-5-methyl-3(2H)-furanone 

Relevant articles and documents

ALKYNYL ALCOHOLS AS KINASE INHIBITORS

Selected compounds are effective for prophylaxis and treatment of inflammation and inflammatory disorders, such as NIK-mediated disorders. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving, inflammation and the like.

Synthesis and pharmacological characterization of new analogs of broxaterol

A series of isoxazole derivatives structurally related to broxaterol 1 has been prepared and tested for their potency to β1 and β2 adrenergic receptors. At variance with broxaterol, none of the tested compounds displayed agonistic activity. The 3-isopropenyl derivative 5f is the most potent antagonist both in the trachea and atria preparations.

Synthesis and antiulcer activity of novel 5-(2-ethenyl substituted)-3(2H)- furanones

In order to investigate new antiulcer agents, spizofurone 1 (AG-629) was fragmented and reassembled to generate 5-phenyl-2,2-dimethyl-3(2H)-furanone (bullatenone, 2). Because of the antiulcer activity of 2,5-phenyl-substituted 2,2-dimethyl-3(2H)-furanones (3-6) were made and shown to have poor activity. Insertion of an ethenyl link between the furanone and phenyl rings gave 5-(2- phenylethenyl)-2,2-dimethyl-3(2H)-furanone (7). This compound had better activity than 2. Compounds 8-41 were synthesized to evaluate the SAR in 5-(2- ethenyl substituted)-3(2H)-furanones. Electron-withdrawing substituents on the aromatic ring (8, 10, 19, and 20) gave 2-3-fold higher activity. Further increases in the activity were found when the phenyl ring was replaced by heterocyclic nuclei. Compounds that contained a thiophene (29), pyridine (24- 26), or quinoline ring (32) had the best activity. Replacement of the methyl group on the furanone ring with a phenyl (34) or p-fluorophenyl (40) substituent in the 2-pyridine series gave compounds with activity that ranked with the best obtained in this study. The best compounds from the above SAR studies were evaluated in the ethanol-necrosis model for duration of cytoprotection action. Compounds 19, 24, and 29, which had the best duration of action, were tested with AG-629 in the acidified aspirin and indomethacin- induced lesion models. Only compound 24 had equivalent activity with AG-629 in both models.