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27th July 2016 @ 02:44

requires HRMS, IR and 19F NMR 

Crude AEW 102-11 was dissolved in MeOH (20 mL) and a few drops of H2SO4 was added and the reaction mixture stirred at 80 ˚C for 16 hours.

 Poured over water (40 mL) and extracted into EtOAc (30 mL x3). Combined organic layers were dried over MgSO4, filtered and evaporated to give a yellow oil. Crude material was filtered by flash column chromatography over silica (10% EtOAc in Petrol to EtOAc) to give a yellow oil (x g, x mmol, x% yield over three steps).

 

Data:

TLC (30% EtOAc in hexane)

 

Ref NMR from CRO:

Methyl ESTER NMR.pdf

 

Hazard and Risk Assessment:

HIRAC AEW 103-1.pdf

 

InChi:

InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)

to

InChI=1S/C9H8F2O3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8,12H,1H3

Literature:

Possible useful paper for chiral HPLC of enantioenriched compounds: JACS, 2002, 124, 2870 (http://pubs.acs.org/doi/abs/10.1021/ja0255047?source=chemport)