5-Bromo-7-azaindole

Bezeichnung:5-Bromo-7-azaindole

CAS-Nr183208-35-7

Englisch Name:5-Bromo-7-azaindole

CBNumberCB6756981

SummenformelC7H5BrN2

Molgewicht197.03

MOL-Datei183208-35-7.mol

5-Bromo-7-azaindole physikalisch-chemischer Eigenschaften

Schmelzpunkt	176-180 °C
Siedepunkt	357.4±42.0 °C(Predicted)
Dichte	1.79±0.1 g/cm3(Predicted)
storage temp.	Sealed in dry,Room Temperature
pka	6.25±0.20(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	White to yellow
InChI	InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey	LPTVWZSQAIDCEB-UHFFFAOYSA-N
SMILES	C12NC=CC1=CC(Br)=CN=2
LogP	1.8 at 25℃ and pH7
CAS Datenbank	183208-35-7(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	22-41
S-Sätze:	26-39
WGK Germany	3
HazardClass	IRRITANT
HS Code	29339900

Gefahreninformationscode (GHS)

5-Bromo-7-azaindole Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
R41:Gefahr ernster Augenschäden.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S39:Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
White to light brown powder or crystal
Verwenden
5-Bromo-7-azaindole is a chemical reagent used in organic syntheses. Used in the synthesis of Venetoclax (A112430), a potent and selective BCL-2 inhibitor that achieves potent antitumour activity while sparing platelets. Also used in other 7-azaindole derivatives such as for PDK1 inihibtors.
Synthese
In the 250 ml flask is sequentially added in 50 ml ethanol and 5-bromo-1-hydrogen pyrrolo [2,3 - the b] pyridine -2 - ketone (4.2g, 20 mmol), Sn powder (4.7 g, 40 mmol) and 5 mol/L hydrochloric acid (14 ml), 40 ℃ stirring for 2 hours, the reaction is completed, to remove the ethanol, add 50 ml of water residue is completely dissolved, saturated NaHCO3 solution and to pH=8, and filtering the resulting solid, after drying, dissolved in 50 ml chloroform, adding CuBr2(13.4 g, 60mmol), 60 Cstirring for 2 hours, the reaction is completed, the end of the reaction, rotary evaporated to remove chloroform, adding 50 ml saturated NaHCO3 solution, ethyl acetate (3 × 100 ml), the combined organic phase with water (50 ml) for washing and then the saturated salt water (50 ml) washing, anhydrous Na2SO4 drying, filtering, the filtrate is concentrated to obtain 5-bromo-1H-pyrrolo [2,3 - the b] pyridine the crude product, the crude product is chloroform: hexane=2:1 (volume ratio) mixed solution recrystallize to get 3.1 g of pale yellow 5-Bromo-7-azaindole pure product, yield 77.6%, melting point:176.8-177.3 ℃.
Solubility in organics
The solubility of 5-Bromo-7-azaindole in pure solvents increases with increasing temperature. Among them 5-Bromo-7-azaindole showed the best solubility in methyl acetate and the worst solubility in hexane. The maximum change in solubility of 5-Bromo-7-azaindole in DCM was observed at T = 298.15-313.15 K. The solubility of 5-Bromo-7-azaindole in DCM was found to be the most variable.

5-Bromo-7-azaindole Upstream-Materialien And Downstream Produkte

5-Bromo-7-azaindole Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

183208-35-7, 5-Bromo-7-azaindole Verwandte Suche:

Send Inquriy