2-amino-4-bromo-5-fluorobenzoic acid

 

2-amino-4-bromo-5-fluorobenzoic acid as a white to off-white crystalline solid

1H NMR (400 MHz, DMSO-d6) δ 7.62 (d, J=9.6 Hz, 1H), 7.21-6.5 (m, 3H), 3.8- 3.3 (br s, 1H).

13C NMR (100 MHz, DMSO-d6) δ 170.5, 149.6, 147.6, 147.3, 120.4, 118.1, 118.0, 109.2, 109.0, 99.5.

mp >250 °C. IR (neat) 3494, 3351, 3053, 3038, 1521, 774 cm-1;

HRMS (ESI) m/z: calcd for C7H5BrFNO2 [M+H]+ 233.9560, found 233.9551.

Org. Lett., 2018, 20 (13), pp 3736–3740

DOI: 10.1021/acs.orglett.8b01218

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Quetiapine

Quetiapine

1H NMR (400 MHz, CD3OD): δ = 3.18-3.27 (m, 4H), 3.35-3.44 (m, 3H), 3.56-3.58 (m, 3H), 3.67-3.69 (m, 3H), 3.76 (t, J = 5.2 Hz, 2H), 4.32 (s, 1H), 6.88 (td, J = 7.4 Hz, 1.2 Hz, 1H), 7.04 (dd, J = 7.8 Hz, 1.6 Hz, 1H), 7.13 (td, J = 7.8 Hz, 1.6 Hz, 1H), 7.23 (dd, J = 6.8 Hz, 2.4 Hz, 1H), 7.28-7.39 (m, 4H) ppm.

13C NMR (100 MHz, CD3OD): δ = 40.2, 45.6, 52.8, 53.3, 57.6, 62.0, 65.6, 73.4, 123.9, 125.99, 126.0, 128.4, 129.0, 130.6, 131.3, 132.5, 133.2, 134.7, 137.9, 145.7, 170.6 ppm.

HRMS (ESI+ ): calcd for C21H26N3O2S [M+H]+ 384.1740, found 384.1735.

Org. Lett., Article ASAP

DOI: 10.1021/acs.orglett.8b02812

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