Isochinolin-N-oxyd

Bezeichnung:Isochinolin-N-oxyd

CAS-Nr1532-72-5

Englisch Name:ISOQUINOLINE N-OXIDE

CBNumberCB1418017

SummenformelC9H7NO

Molgewicht145.16

MOL-Datei1532-72-5.mol

Synonyma

Isochinolin-N-oxyd

Isochinolin-N-oxyd physikalisch-chemischer Eigenschaften

Schmelzpunkt	103-105 °C(lit.)
Siedepunkt	170°C 3mm
Dichte	1.1555 (rough estimate)
Brechungsindex	1.4500 (estimate)
Flammpunkt	170°C/3mm
storage temp.	Inert atmosphere,Room Temperature
pka	0.74±0.30(Predicted)
Aggregatzustand	powder to crystal
Farbe	Light yellow to Yellow to Orange
Sensitive	Hygroscopic
BRN	114345
InChI	1S/C9H7NO/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey	RZIAABRFQASVSW-UHFFFAOYSA-N
SMILES	[O-][n+]1ccc2ccccc2c1
CAS Datenbank	1532-72-5(CAS DataBase Reference)

Sicherheit

R-Sätze:	36/38
S-Sätze:	24/25
WGK Germany	3
HS Code	2933499090
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

ISOQUINOLINE N-OXIDE Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/38:Reizt die Augen und die Haut.
S-Sätze Betriebsanweisung:
S24/25:Berührung mit den Augen und der Haut vermeiden.
Chemische Eigenschaften
cream to brown powder or chunks
Verwenden
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
Allgemeine Beschreibung
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.
Synthese

119-65-3

1532-72-5

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.
Einzelnachweise
[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

ISOQUINOLINE N-OXIDE Upstream-Materialien And Downstream Produkte

Isochinolin-N-oxyd Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

1532-72-5, ISOQUINOLINE N-OXIDE Verwandte Suche:

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