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29th August 2016 @ 02:04

Submitted to HRMS

Need 1H, 13C and 19F from service

IR and mp


AEW (450 mg, 1.76 mmol, 1.0 equiv.), potassium hydroxide (345 mg, 6.16 mmol, 3.5 equiv.) and 18-crown-6 (33 mg, 0.12 mmol, 0.07 equiv.) were stirred in toluene (11 mL) and AEW alcohol (455 mg, 1.76 mmol, 1.0 equiv.) was added and the reaction mixture stirred at rt for 30 mins. 


TLC showed reaction complete (9:1 EtOAc/hex)


F1: 400 mg

F2:

F3:

Strings

InChI=1S/C12H6ClN5/c13-10-6-15-7-11-16-17-12(18(10)11)9-3-1-8(5-14)2-4-9/h1-4,6-7H

and

InChI=1S/C13H16F2O3/c14-10-5-4-9(7-11(10)15)12(8-16)18-13-3-1-2-6-17-13/h4-5,7,12-13,16H,1-3,6,8H2

to

InChI=1S/C25H21F2N5O3/c26-19-9-8-18(11-20(19)27)21(35-24-3-1-2-10-33-24)15-34-23-14-29-13-22-30-31-25(32(22)23)17-6-4-16(12-28)5-7-17/h4-9,11,13-14,21,24H,1-3,10,15H2


ClC1=CN=CC2=NN=C(C3=CC=C(C#N)C=C3)N21

and

OCC(OC1OCCCC1)C2=CC(F)=C(F)C=C2

to

FC1=C(F)C=CC(C(OC2OCCCC2)COC3=CN=CC4=NN=C(C5=CC=C(C#N)C=C5)N43)=C1

Attached Files
AEW 312-1.png
AEW 312-1.cdxml