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15th November 2014 @ 13:38

Optimising Reaction conditions to avoid side product synthesis 


Reaction Scheme 


Experimental Procedure 

Compound 3 (0.1 g, ) was treated with  Hydrazine hydrate - 64 % weight in H2O - (0.03 mL, 2 equivs) in EtOH (1.2 ml) . The resulting mixture was stirred overnight at reflux. TLC of the resulting mixture in two different solvent systems will be performed performed (100% EtOAc and 10/90 EtOAc/Hexane). After 24 hours The TLC indicted the reaction was not complete . TLC after 48 hours showed the reaction was still not complete but more product had formed.  An NMR was taken at this stage and showed the starting material was still present in a ratio of 2:1 with the desired product. 

RISK ASSESSMENT 

JS 5-2.docx

InChI strings

InChI=1S/C12H8Cl2N2O/c13-8-3-1-4-9(7-8)15-12(17)10-5-2-6-11(14)16-10/h1-7H,(H,15,17)

to

InChI=1S/C12H11ClN4O/c13-8-3-1-4-9(7-8)15-12(18)10-5-2-6-11(16-10)17-14/h1-7H,14H2,(H,15,18)(H,16,17)

SMILES

ClC1=NC(C(NC2=CC=CC(Cl)=C2)=O)=CC=C1

to

O=C(NC1=CC=CC(Cl)=C1)C2=CC=CC(NN)=N2