ATOVAQUONE SPECTRAL VISIT

ATOVAQUONE



FIRST ONE............FROM NET





http://pubs.acs.org/doi/abs/10.1021/op500032w

mp 219–221 °C;

 IR (KBr) ν 728, 822, 1089, 1278, 1347, 1369, 1490, 1595, 1659, 2855, 2926, 3377 cm–1; 

1H NMR (CDCl3 with 0.03% TMS, 400 MHz): δ 8.08–8.16 (m, 2H), 7.68–7.80 (m, 2H), 7.55 (s, 1H), 7.27–7.29 (d, 2H), 7.18–7.20 (d, 2H), 3.15–3.23 (tt, 1H), 2.62–2.69 (tt, 1H), 2.16–2.26 (m, 2H), 1.97–2.01 (m, 2H), 1.77–1.80 (m,2H), 1.54–1.65 (m, 2H). 

The HPLC analysis using hypersil BDS, acetonitrile/water/methanol/ortho-phosphoric acid (525:300:175:5), 3 mL/min, 25 °C, confirmed the purity of atovaquone to be more than 99.8%, without a detectable amount of cis-isomer and no other single impurity more than 0.05%.






SECOND ONE............


http://pubs.acs.org/doi/abs/10.1021/op300165q

13c NMR CDCL3 ABOVE

1H NMR (400 MHz, CDCl3): δH 1.48–1.64 (2H, m), 1.71–1.78 (2H, m), 1.92–2.02 (2H, m), 2.13–2.25 (2H, m), 2.64 (1H, m), 3.17 (1H, m), 7.18 (2H, d), 7.27 (2H, d), 7.48 (1H, s, OH), 7.68 (1H, m), 7.76 (1H, m), 8.08 (1H, d) and 8.14 (1H, d); 

13C NMR (100 MHz, CDCl3): δC29.2, 34.4, 34.5, 43.2, 126.0, 127.0, 127.3, 128.2, 128.4, 129.2, 131.5, 132.8, 133.2, 135.0, 146.0, 153.0, 181.8, 184.5; 

HRMS (APCI, negative ion, [M – H]−) calculated for C22H18ClO3 365.0950, found 365.0951.






THIRD ONE..............

http://nopr.niscair.res.in/bitstream/123456789/21838/1/IJCB%2052B(10)%201299-1312.pdf

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