| Identification | More | [Name]
ISOQUINOLINE N-OXIDE | [CAS]
1532-72-5 | [Synonyms]
ISOQUINOLINE 2-OXIDE
ISOQUINOLINE N-OXIDE
ISOQUINOLIN-N-OXIDE
Isoquinoline oxide
isoquinoline-oxide
ISOQUINOLINE N-OXIDE: 50% W/V IN WATER
Isoquinoline N-oxide, min 50% w/v in water
2-Oxylatoisoquinoline-2-ium
2-Oxylatoisoquinolinium | [EINECS(EC#)]
216-242-7 | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD00006903 | [Molecular Weight]
145.16 | [MOL File]
1532-72-5.mol |
| Chemical Properties | Back Directory | [Appearance]
cream to brown powder or chunks | [Melting point ]
103-105 °C(lit.)
| [Boiling point ]
170°C 3mm | [density ]
1.1555 (rough estimate) | [refractive index ]
1.4500 (estimate) | [Fp ]
170°C/3mm | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
0.74±0.30(Predicted) | [color ]
Light yellow to Yellow to Orange | [Sensitive ]
Hygroscopic | [BRN ]
114345 | [InChIKey]
RZIAABRFQASVSW-UHFFFAOYSA-N | [CAS DataBase Reference]
1532-72-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Risk Statements ]
R36/38:Irritating to eyes and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [HS Code ]
2933499090 |
| Hazard Information | Back Directory | [Chemical Properties]
cream to brown powder or chunks | [Uses]
Isoquinoline n-oxide an isoquinoline metabolite. | [Definition]
ChEBI: Isoquinoline N-oxide is a member of isoquinolines. | [Synthesis Reference(s)]
Tetrahedron, 50, p. 12185, 1994 DOI: 10.1016/S0040-4020(01)89569-7 | [General Description]
Photochemical isomerization of isoquinoline N-oxide in methanol or water has been investigated by steady-light irradiation and flash spectroscopy. It is a useful intermediate for isoquinoline derivatives. It causes the oxidation of fullerene C60 under ultrasonic irradiation in air. | [Synthesis]
In a 50 mL round-bottomed flask, 1.29 g of isoquinoline, 1.1 g of 35% mass fraction of hydrogen peroxide, 5% mass fraction of perfluorosulfonic acid resin, and 10 mL of water as solvent were sequentially added. The resulting mixture was placed in a 30 W/20 kHz ultrasonic reactor for 15 min. After the reaction was completed, the perfluorosulfonic acid resin catalyst was removed from the system by filtration, the water in the solvent was removed by distillation under reduced pressure, and finally the target product was purified by recrystallization to give 1.39 g of isoquinoline-N-oxide in 96% yield. | [References]
[1] Organic Letters, 2018, vol. 20, # 8, p. 2346 - 2350
[2] Heterocyclic Communications, 2007, vol. 13, # 1, p. 25 - 28
[3] Chemistry - A European Journal, 2014, vol. 20, # 2, p. 559 - 563
[4] Patent: CN108003098, 2018, A. Location in patent: Paragraph 0085; 0086; 0087
[5] Journal of the American Chemical Society, 2009, vol. 131, p. 3291 - 3306 |
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