3-Bromomethyl-5-fluoro-benzonitrile synthesis
- Product Name:3-Bromomethyl-5-fluoro-benzonitrile
- CAS Number:853368-35-1
- Molecular formula:C8H5BrFN
- Molecular Weight:214.03
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Yield:853368-35-1 51%
Reaction Conditions:
with N-Bromosuccinimide;2,2'-azobis(isobutyronitrile) in chloroform;Reflux;
Steps:
94 3-(Bromomethyl)-5-fluorobenzonitrile (UB-98).
To a solution of 3-fluoro-5- methylbenzonitrile (2.61 g, 19.24 mmol) and N-bromosuccinmide (5.13 g, 28.86 mmol) in CHCl3 was added AIBN (1.26 g, 7.69 mmol). The reaction was refluxed for 24 h. The solvent was removed under vacuum and the crude purified by flash chromatography (heptane/EtOAc 95/5) to give 2.10 g (51%) of UMB-98 as a colorless oil. Rf = 0.32 (n-Heptane:5%EtOAc); 1H NMR (400 MHz, Chloroform-d) δ 7.50 (t, J = 1.5 Hz, 1H), 7.38 (dt, J = 8.9, 2.0 Hz, 1H), 7.30 (ddd, J = 7.9, 2.5, 1.3 Hz, 1H), 4.46 (s, 2H); 13C NMR (101 MHz, Chloroform-d) δ 162.12 (d, J = 251.3 Hz), 141.93 (d, J = 8.0 Hz), 128.52 (d, J = 3.4 Hz), 121.06 (d, J = 22.0 Hz), 118.97 (d, J = 24.7 Hz), 117.07 (d, J = 3.3 Hz), 114.26 (d, J = 9.9 Hz), 30.32 (d, J = 1.9 Hz).
References:
WO2021/228992,2021,A1 Location in patent:Page/Page column 13; 72
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