19212-42-1

Basic information

• Product Name: 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE
• Synonyms: BUTTPARK 97\12-32;1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE;1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHANONE;4-Acetyl-5-methyl-3-phenylisoxazole;4-Acetyl-5-methyl-3-phenylisoxazole 97%;1-(5-methyl-3-phenyl-4-isoxazolyl)-1-ethanone;Ethanone, 1-(5-Methyl-3-phenyl-4-isoxazolyl)-;4-Acetyl-5-methyl-3-phenylisoxazole97%
• CAS NO: 19212-42-1
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.22
• Mol File: 19212-42-1.mol
• Article Data: 3

Chemical Properties

• Melting Point: 56-58
• Boiling Point: 359 °C at 760 mmHg
• Flash Point: 170.9 °C
• Appearance: /
• Density: 1.127 g/cm³
• Vapor Pressure: 2.46E-05mmHg at 25°C
• Refractive Index: 1.54
• PKA: -4.13±0.50(Predicted)
• CAS DataBase Reference: 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE(19212-42-1)
• EPA Substance Registry System: 1-(5-METHYL-3-PHENYLISOXAZOL-4-YL)ETHAN-1-ONE(19212-42-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22-36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 19212-42-1(Hazardous Substances Data)

Usage

General Description

1-(5-Methyl-3-phenylisoxazol-4-yl)ethan-1-one, also known as MPAI, is a synthetic compound with potential psychoactive effects. It belongs to the class of cathinones, which are similar to amphetamines and have stimulant properties. MPAI acts as a dopamine and norepinephrine reuptake inhibitor, leading to increased levels of these neurotransmitters in the brain. This can result in feelings of euphoria, increased energy, and heightened alertness. However, MPAI also comes with risks, including potential cardiovascular and mental health issues. Due to these dangers, it is often classified as a controlled substance and is illegal in many jurisdictions.

InChI:InChI=1/C12H11NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-7H,1-2H3

Upstream product

• 56-23-5 tetrachloromethane 
• 873-67-6 benzonitrile oxide 
• 64-17-5 ethanol 
• 123-54-6 acetylacetone 
• 623-11-0 1-methyl-4-nitrosobenzene 
• 932-90-1 syn-benzaldehyde oxime 
• 54716-01-7 (E)-4-(dimethylamino)pent-3-en-2-one 
• 934-16-7 phenylhydroxamoyl chloride 
• 698-16-8 benzohydroximoyl chloride 
• 932-90-1 Benzaldoxime 
• 3433-62-3 4-dimethylamino-pent-3-en-2-one 

Downstream Products

• 264256-23-7 4-(5-methyl-3-phenyl-isoxazol-4-yl)-pyrimidin-2-ylamine 
• 80572-11-8 1-(5-methyl-3-phenyl-isoxazol-4-yl)-ethanone phenylhydrazone 
• 1585971-10-3 C₂₉H₃₇N₃O₄S 
• 61728-37-8 (E)-3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-2-enoic acid 
• 61728-39-0 (E)-3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-2-enoic acid 2,2,2-trifluoro-ethyl ester 
• 61728-46-9 (Z)-3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-2-enoic acid 2,2,2-trifluoro-ethyl ester 
• 61728-34-5 (E)-3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-2-enoic acid methyl ester 
• 61728-36-7 (Z)-3-(5-methyl-3-phenyl-isoxazol-4-yl)-but-2-enoic acid methyl ester 
• 13788-13-1 hydroxy-(5-methyl-3-phenyl-isoxazol-4-yl)-acetic acid 
• 15581-14-3 2-(5-methyl-3-phenyl-isoxazol-4-yl)-quinoxaline 
• 13917-27-6 4-(1⁽³⁾H-imidazol-4-yl)-5-methyl-3-phenyl-isoxazole 
• 13788-12-0 isonicotinic acid [2-(5-methyl-3-phenyl-isoxazol-4-yl)-2-oxo-ethylidene]-hydrazide 
• 13788-11-9 4-[2-(5-methyl-3-phenyl-isoxazol-4-yl)-2-oxo-ethylideneamino]-benzoic acid 
• 15562-66-0 3-(5-methyl-3-phenyl-isoxazol-4-yl)-pyrido[2,3-b]pyrazine 

Relevant articles and documents

Hypervalent Iodine(III) Reagent Mediated Regioselective Cycloaddition of Aldoximes with Enaminones

An efficient oxidative cycloaddition of enaminones with nitrile oxides generated in situ from respective aldoximes using hypervalent iodine reagents has been developed. Reactions of various aldoximes with enaminones in the presence of [hydroxy(tosyloxy)iodo]benzene involved the regioselective cycloaddition reaction resulting in the formation of the 3,4-disubstituted isoxazoles in moderate to good yields. Structures of several isoxazole products were confirmed by a single X-ray crystallography.

A novel synthesis of isoxazoles via 1,3-dipolar cycloaddition of nitrile oxides to acetyl acetone

Nitrile oxides (2) isolated from the oxidative dehydrogenation of aldoximes (1) by chloramines-T react with acetyl acetone (3) to afford 4-acetyl-3-aryl-5-methyl isoxazoles (5) in good yield. All new compounds were characterized by IR, 1H NMR,