All Notebooks | Help | Support | About
15th October 2013 @ 02:16

Small scale synthesis as AEW 85-2 wasn't complete in time for test reaction.

AEW 86-1 (45 mg, 0.3 mmol) was sirred in AcOH (0.03 mL) in MeCN (0.9 mL) and 4-formylbenzonitrile (41 mg, 0.3 mmol) was added to the orange suspension and the resulting reaction mixture stirred at room temperature for 1 h. The solvent was removed under vacuo to yield an orange/brown solid. 

1H NMR revealed product and aldehyde, suggesting SM quantity was inaccurate. Not purified for now, will scale-up and reassess.

Data:

AEW 95-1 crude proton.pdf
AEW 95-1 cdcl3.7z

Hazard and Risk Assessment:

HIRAC AEW 95-1.pdf

InChi:

InChI=1S/C4H5ClN4/c5-3-1-7-2-4(8-3)9-6/h1-2H,6H2,(H,8,9)

and

InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H

to

InChI=1S/C12H8ClN5/c13-11-7-15-8-12(17-11)18-16-6-10-3-1-9(5-14)2-4-10/h1-4,6-8H,(H,17,18)/b16-6+

Linked Posts
This post is linked by:
Attached Files
AEW 95-1.png
HIRAC AEW 95-1.pdf
AEW 95-1 crude proton.pdf
AEW 95-1 cdcl3.7z