6497-21-8

Basic information

• Product Name: 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE
• Synonyms: AKOS BC-0829;1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE;1-(5-Methyl-4-isoxazol)-1-ethanone;1-(5-Methylisoxazol-4-yl)ethanone
• CAS NO: 6497-21-8
• Molecular Formula: C₆H₇NO₂
• Molecular Weight: 125.13
• Mol File: 6497-21-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 26-28°C
• Boiling Point: 54°C 0,25mm
• Flash Point: 87.4 °C
• Appearance: /
• Density: 1.104 g/cm³
• Vapor Pressure: 0.11mmHg at 25°C
• Refractive Index: 1.468
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE(6497-21-8)
• EPA Substance Registry System: 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE(6497-21-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 6497-21-8(Hazardous Substances Data)

Usage

General Description

1-(5-Methyl-4-isoxazolyl)-1-ethanone is a chemical compound with the molecular formula C7H9NO2. It is a ketone derivative that contains a 5-methyl-4-isoxazolyl group and an ethanone group. 1-(5-METHYL-4-ISOXAZOLYL)-1-ETHANONE is commonly used in organic synthesis and pharmaceutical research due to its interesting structural and electronic properties. It can also be used as a building block in the production of various pharmaceutical drugs and agrochemicals. Additionally, 1-(5-Methyl-4-isoxazolyl)-1-ethanone has potential applications as an intermediate in the synthesis of novel bioactive compounds and as a tool in medicinal chemistry research.

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

Upstream product

• 18856-72-9 3-dimethylaminomethylenepentane-2,4-dione 
• 123-54-6 acetylacetone 

Downstream Products

• 3141-59-1 2-acetyl-3-oxo-butyronitrile 
• 23340-25-2 α-benzal-β-ketobutyronitrile 
• 141-78-6 ethyl acetate 
• 6081-80-7 2-acetyl-3-phenylamino-2-butenenitrile 
• 108086-95-9 2-acetyl-3-methylamino-2-butenenitrile 
• 110788-68-6 2-Hydroxy-4-oxo-3-cyan-penten-(2) 
• 941693-30-7 2-methyl-4-oxo-3-(phenylamino)pent-2-enenitrile 
• 941693-40-9 2-(3-(4-methoxybenzyloxy)prop-1-ynyl)-4,6-dimethylpyridine-3,5-dicarbonitrile 
• 941693-43-2 2-(3-(4-methoxybenzyloxy)propyl)-4,6-dimethylpyridine-3,5-dicarbonitrile 
• 941693-23-8 2-(3-(4-methoxybenzyloxy)propyl)-4,6-dimethylpyridine-3,5-dicarbaldehyde 
• 681138-79-4 3-cyanohexa-2,4-dione 
• 116545-46-1 1-(3-tert-Butylamino-5-methyl-1-phenyl-1H-pyrazol-4-yl)-ethanone 
• 23198-55-2 3,5-dimethyl-1-phenylpyrazole-4-carbonitrile 
• 108161-12-2 3,5-dimethyl-1H-pyrazole-4-carbonitrile 

Relevant articles and documents

An in situ combinatorial methodology to synthesize and screen chemical probes

Chemical probes that label proteins of interest in the context of complex biological samples are useful research tools. The reactive group that forms the covalent bond with the target protein has a large effect on the selectivity and selecting the appropriate group determines the success of a probe. We here report the development of a combinatorial methodology based on imine chemistry that enables straightforward in situ synthesis and screening of different reactive groups and thereby simplifies identification of probe leads. Using our methodology, we found chemical probes targeting BirA and chloramphenicol acetyl transferase, two proteins associated with antibacterial activity and resistance.

Isoxazolyl indolamines

This disclosure describes compounds of the formula STR1 where R1 represents hydrogen, fluoro, chloro, lower alkyl having 1 to 4 carbon atoms or lower alkoxy having 1 to 4 carbon atoms, and R2 represents hydroxy, and R3 and R4 each independently represent lower alkyl as defined above, or R3 and R4 together with N represent STR2 wherein n is 1, 2, or 3, and R5 and R6 each independently represent hydrogen or lower alkyl as defined above, and R7 represents lower alkyl as defined above, or a pharmaceutically acceptable acid addition salt thereof, which are useful as anti-diabetic agents, in particular as hypoglycemic agents and inhibiting or impeding postprandial hyperglycemia.

Isoxazolyl indolamines

This disclosure describes compounds of the formula STR1 where R1 represents hydrogen, fluoro, chloro, lower alkyl having 1 to 4 carbon atoms or lower alkoxy having 1 to 4 carbon atoms, and R2 represents hydroxy, and R3 and R4 each independently represent lower alkyl as defined above, or R3 and R4 together with N represent STR2 wherein n is 1, 2 or 3, and R5 and R6 each independently represent hydrogen or lower alkyl as defined above, or a pharmaceutically acceptable acid addition salt thereof, which are useful as anti-diabetic agents, in particular as hypoglycemic agents and inhibiting or impeding post-prandial hyperglycemia.