GRANISETRON IMPURITY B Chemical Properties

Boiling point:

115-119°C (18 mmHg)

Density 

0.968±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

solubility 

DMSO (Slightly), Methanol (Slightly)

form 

Oil

pka

11.09±0.40(Predicted)

color 

Colourless to Dark Yellow

Stability:

Hygroscopic

InChI

InChI=1/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7-,8+,9-

InChIKey

HTZWHTQVHWHSHN-AYMMMOKONA-N

SMILES

CN1[C@H]2CCC[C@@H]1C[C@H](N)C2 |&1:2,6,8,r|

CAS DataBase Reference

76272-56-5(CAS DataBase Reference)

Safety Information

HS Code 

2921490090

GRANISETRON IMPURITY B Usage And Synthesis

Chemical Properties

Pale Yellow Oil

Uses

Granisetron impurity E. An intermediate of Granisetron.

Synthesis

9-Methyl-9-azabicyclo[3,3,1]nonan-3-one oxime (10 g, 0.06 mol) was used as a raw material and dissolved in methanol (70 mL) and 0.88 ammonia. The hydrogenation reaction was carried out at 50 °C and 50 psi (344.8 kPa) hydrogen pressure for 16 h using 5% rhodium/carbon catalyst (1 g dry weight). Upon completion of the reaction, the mixture was cooled to room temperature and the catalyst was removed by filtration. The catalyst bed was washed with methanol and the methanol solution was subsequently evaporated under reduced pressure to afford endo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane as an oil (8.6 g, 93% yield), which solidified to a waxy solid (8.6 g, 93%) upon standing. EI analysis by GC/MS (JEOL DX303) showed the molecular ion peak m/z 154 (M+).

References

[1] Patent: US5856489, 1999, A

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