3-Methylpyridin-2-carbonitril

Bezeichnung:3-Methylpyridin-2-carbonitril

CAS-Nr20970-75-6

Englisch Name:3-Methylpicolinonitrile

CBNumberCB6256294

SummenformelC7H6N2

Molgewicht118.14

MOL-Datei20970-75-6.mol

Synonyma

3-Methylpyridin-2-carbonitril

3-Methylpyridin-2-carbonitril physikalisch-chemischer Eigenschaften

Schmelzpunkt	83-87 °C(lit.)
Siedepunkt	141°C 38mm
Dichte	1.1151 (rough estimate)
Brechungsindex	1.5500 (estimate)
Flammpunkt	115°C
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pka	-0.03±0.10(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	Light beige
BRN	112001
InChI	1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3
InChIKey	WBXZCDIZXWDPBL-UHFFFAOYSA-N
SMILES	Cc1cccnc1C#N
CAS Datenbank	20970-75-6(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-36/37
RIDADR	3439
WGK Germany	3
HazardClass	6.1
PackingGroup	III
HS Code	29333999
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

3-Methylpicolinonitrile Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Chemische Eigenschaften
light beige crystalline powder
Verwenden
3-Methylpicolinonitrile is a useful chemical reagent. It has been used in the synthesis of, triazolo[1,5-c]pyrimidines as potential antiasthma agents; s-tetrazine derivatives as anti-tumor agents.
Synthese

1003-73-2

20970-75-6

II-1-1: Synthesis of 2-cyano-3-methylpyridine 10.9 g (0.1 mol) of 3-methylpyridine-N-oxide was mixed with 12.6 g (0.1 mol) of dimethyl sulfate and the reaction was stirred at 70-75°C for 2 hours. Subsequently, a solution prepared from 13.0 g (0.2 mol) potassium cyanide dissolved in 10-40 mL of water was slowly added dropwise to the reaction system while maintaining stirring. After the dropwise addition was completed, the reaction mixture was continued to be stirred at the same temperature for 1 hour and then at room temperature for another 1 hour. Upon completion of the reaction, it was diluted with 150 mL of water and extracted with dichloromethane. The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure. The resulting crude product was purified by silica gel column chromatography (eluent ratio: ethyl acetate/hexane = 2:8 to 3:7, 2:8 for the second time), and finally recrystallized from hexane to give 2.20 g of colorless solid product in 18.6% yield. The melting point of the product was 82.5-83.5 °C. IR (KBr, cm-1): 2210, 1560.
Einzelnachweise
[1] Patent: US5219847, 1993, A
[2] Chemical and Pharmaceutical Bulletin, 1959, vol. 7, p. 925,928

3-Methylpicolinonitrile Upstream-Materialien And Downstream Produkte

3-Methylpyridin-2-carbonitril Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

20970-75-6, 3-Methylpicolinonitrile Verwandte Suche:

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