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26th July 2016 @ 08:31

Synthesised for PfATP4  'Frontrunner Molecules"

GitHub Issue #400


 

Crude AEW 298-1 (600 mg, 2.01 mmol, 1 equiv.) was suspended in EtOH (20 mL) and  4-(difluoromethoxy)benzaldehyde (0.27 mL, 2.01 mmol, 1 equiv.) was added to the reaction mixture. The reaction was stirred at rt overnight. A bright yellow suspension was formed, solvent was removed in vacuo and the crude yellow product dried further at the high vac (quantitive yield). Used directly as crude in next step: Synthesis of 3-(4-(difluoromethoxy)phenyl)-N-(2-(trifluoromethyl)pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine-5-carboxamide (AEW 300-1).


Data:

 

Hazard and Risk Assessment:


Strings:

InChI=1S/C11H9F3N6O/c12-11(13,14)8-3-6(1-2-17-8)18-10(21)7-4-16-5-9(19-7)20-15/h1-5H,15H2,(H,19,20)(H,17,18,21)

to

InChI=1S/C19H13F5N6O2/c20-18(21)32-13-3-1-11(2-4-13)8-27-30-16-10-25-9-14(29-16)17(31)28-12-5-6-26-15(7-12)19(22,23)24/h1-10,18H,(H,29,30)(H,26,28,31)/b27-8+

O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=NC(NN)=CN=C2

to

O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=NC(N/N=C/C3=CC=C(OC(F)F)C=C3)=CN=C2

 

Attached Files
AEW 299-1.cdxml
AEW 299-1.png