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Wednesday, 3 February 2016

tert-Butyl (5-chloro-2-ethynyl-4-fluorophenyl)carbamate







 Colorless solid; M.p. 112–113 °C;

1H NMR (400 MHz, CDCl3): δ 8.29 (d, J = 6.8 Hz, 1H), 7.16 (d, J = 8.8 Hz, 1H), 7.18–7.04 (br, 1H), 3.52 (s, 1H), 1.51 ppm (s, 9H);


13C NMR (100 MHz, CDCl3): δ 152.7 (d, J = 242.8 Hz), 152.1, 137.1 (d, J = 2.9 Hz), 123.1 (d, J = 18.2 Hz), 119.7, 119.2 (d, J = 24.1 Hz), 109.2 (d, J = 8.0 Hz), 85.5, 81.5, 77.6 (d, J = 2.1 Hz), 28.2 ppm;


19F MNR (376 MHz, CDCl3): δ –123.0 ppm (t, J = 10.9 Hz); IR (film): ν 3409, 3301, 2983, 1729, 1512, 1401, 1239, 1155, 1060, 886, 832

HRMS (ESI) Anal. calcd. for C13H13ClFNO2Na m/z 292.0511 [M+Na]+, found 292.0512.




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