Anacetrapib CAS No.875446-37-0 / Cat No.EBD42954
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one
Anacetrapib (With 3 Ints.)
Anacetrpib
Anacetrapib
Anacetrapib (With 3 Ints.)
Anacetrpib
Properties
-
Density:
1.345 g/cm3
-
Boiling point:
555.309 °C at 760 mmHg
-
Flashing point:
289.641 °C
NMR Spectrum
Prediction： .H NMR (benzene-d6, 500 MHz, 1:1 mixture of atropisomers): 8 7.82 (s, 0.5H), 7.60 (s, 0.5 H), 7.57 (s, 1 H), 7.33 (d, J = 8 Hz, 1H), 7.27 (d, J = 9.9 Hz, 2 H), 7.02-6.98 (m, 1 H),6.89 (d, J = 8.5 Hz,0.5 H), 6.82 (d, J = 8.5 Hz, 0.5 H), 6.45 (d, J= 12.1 Hz, 0.5 H), 6.35 (d, J= 11.9 Hz,0.5 H), 4.94 (d, J = 16.0 Hz, 0.5 H), 4.87 (d, J = 15.8 Hz, 0.5 H), 4.54 (d, J = 8.0 Hz, 0.5 H), 4.50 (d, J =7.8 Hz, 0.5 H), 3.74-3.66 (m, 1 H), 3.23-3.15 (m, 1 H), 3.12 (s, 1.5 H), 2.99 (s, 1.5 H), 2.97-2.92 (m, 0.5H), 2.89-2.84 (m, 0.5 H), 1.21-1.09 (m, 6 H), -0.27 (d, J = 6.7 Hz, 1.5 H), -0.40 (d, J = 6.7 Hz, 1.5 H).
1H NMR
13C NMR
