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2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Struktur
91591-63-8
CAS-Nr.
91591-63-8
Englisch Name:
2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
Synonyma:
2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE;3-Cyano-2,5-dichloro-4,6-dimethylpyridine;2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%;2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE;2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile;3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-;2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
CBNumber:
CB5352041
Summenformel:
C8H6Cl2N2
Molgewicht:
201.05
MOL-Datei:
91591-63-8.mol

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Eigenschaften

Schmelzpunkt:
82 °C
Siedepunkt:
304.6±37.0 °C(Predicted)
Dichte
1.36
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand
solid
pka
-2.79±0.10(Predicted)
Farbe
White
Sicherheit
  • Risiko- und Sicherheitserkl?rung
  • Gefahreninformationscode (GHS)
Kennzeichnung gef?hrlicher Xi,Xn
R-S?tze: 20/21/22-36/37/38
S-S?tze: 26-36/37/39
HazardClass  IRRITANT
HS Code  2933399990
Bildanzeige (GHS) GHS hazard pictograms
Alarmwort Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitssch?dlich bei Verschlucken. Akute Toxizit?t oral Kategorie 4 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P270, P301+P312, P330, P501
H315 Verursacht Hautreizungen. Hautreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P302+P352, P321,P332+P313, P362
H319 Verursacht schwere Augenreizung. Schwere Augenreizung Kategorie 2 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P280, P305+P351+P338,P337+P313P
H335 Kann die Atemwege reizen. Spezifische Zielorgan-Toxizit?t (einmalige Exposition) Kategorie 3 (Atemwegsreizung) Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" />
Sicherheit
P261 Einatmen von Staub vermeiden.
P305+P351+P338 BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach M?glichkeit entfernen. Weiter spülen.

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden

2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile, can be used for the synthesis of a selective muscarinic receptor 4 (M4) positive allosteric modulator called ML253, which is a potent and brain penetrant compound that is active in a preclinical model of schizophrenia.

Synthese

1.png
Phosphoryl chloride (973.2g), tetramethylammonium chloride (67.3g) and compound of Preparation 2 (227.1g) were added to dichloromethane (500g). The suspension was heated to 85°C and stirred for 5 hours. Excess of phosphoryl chloride was removed by distillation in vacuo. The reaction mixture was cooled below 30 °C and diluted with dichloromethane. The resulting solution was added to water (1350g) at room temperature and stirred for 30 minutes. The lower organic phase was separate and the aqueous phase extracted with dichloromethane. The organic phases were combined, washed with water and then treated with charcoal. The charcoal was filtered and a solvent swap to heptane was performed by distillation at atmospheric pressure. The solution was filtered at 50 °C and then cooled to 30 °C. On further cooling to 0°C crystals were obtained. These were isolated by filtration, washed twice with heptane. After drying at 50°C the desired product was obtained typically at 88-91 % . The above process was repeated with a reduction in dichloromethane during crystallisation and adding some methanol. The resulting plate-like crystals were more easily transferred for subsequent use.

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Upstream-Materialien And Downstream Produkte

Upstream-Materialien

Downstream Produkte

2,5-DICHLORO-4,6-DIMETHYLNICOTINAMIDE AGMWEOLWLPKJFM-UHFFFAOYSA-N

2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.

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91591-63-8()Verwandte Suche:

  • 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE
  • 2,5-DICHLORO-4,6-DIMETHYLPYRIDINE-3-CARBONITRILE
  • 2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile, 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
  • 2,5-Dichloro-4,6-diMethyl-3-pyridinecarbonitrile
  • 3-Cyano-2,5-dichloro-4,6-dimethylpyridine
  • 2,5-Dichloro-4,6-dimethylnicotinonitrile 95+%
  • 3-Pyridinecarbonitrile,2,5-dichloro-4,6-dimethyl-
  • 91591-63-8
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