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27th July 2016 @ 01:26

Synthesised for PfATP4  'Frontrunner Molecules"

GitHub Issue #400

 

Procedure:

Crude AEW 299-1 (~2.01 mmol, 1 equiv.) was suspended in CH2Cl2 (20 mL) and PhI(OAc)2 (647 mg, 2.01 mmol, 1 equiv.) was added. The reaction mixture was stirred at rt.

 

Product was purified by automated flash column chromatography using the Biotage Isolera.

 

Pure product obtained as a brown solid (94 mg, 0.20 mmol, 10% yield). 

Data:

TLC

AEW 300-1 EtOAc.JPG
6 hours EtoAc


Hazard and Risk Assessment:


Strings:

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+

to

InChI=1S/C19H11F5N6O2/c20-18(21)32-12-3-1-10(2-4-12)16-29-28-15-9-25-8-13(30(15)16)17(31)27-11-5-6-26-14(7-11)19(22,23)24/h1-9,18H,(H,26,27,31)

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

to

FC(F)OC(C=C1)=CC=C1C2=NN=C3N2C(C(NC4=CC=NC(C(F)(F)F)=C4)=O)=CN=C3

 

Linked Entries
Attached Files
AEW 300-1.cdxml
AEW 300-1.png
AEW 300-1 EtOAc.JPG