Application of 70591-86-5,Some common heterocyclic compound, 70591-86-5, name is 3-Bromobenzoylacetonitrile, molecular formula is C9H6BrNO, traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route.
3- (3-bromophenyl)-JH-pyrazol-5-amine: A mixture of 3 -(3 -bromophenyl)-3 – oxopropanenitrile (35 g, 156 mmol) and hydrazine hydrate (11.34 mL, 234 mmol) inethanol (600 mL) was refluxed for 16 h. Mixture was then cooled and concentratedin vacuuo. Crude product was diluted with dichloromethane and stirred for 5 mm.Solids were filtered and dried to afford 3-(3-bromophenyl)-1H-pyrazol-5-amine (30g, 126 mmol, 81 % yield) as off-white solid. ?H NMR (400 MHz, DMSO-d6) oe 12.02(br. s., 0.4H), 11.66 (br. s., 0.6H), 7.86 (t, J1 .6 Hz, 1H), 7.67 (d, J=7.5 Hz, 1H), 7.45(d,J=6.8 Hz, 1H), 7.37-7.18 (m, 1H), 5.78 (br. s., 1H), 5.08 (br. s., 1.2H), 4.68 (br.s., 0.8H). LCMS (M+H) = 240.1.
The synthetic route of 70591-86-5 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; NAIDU, B. Narasimhulu; PATEL, Manoj; D’ANDREA, Stanley; ZHENG, Zhizhen Barbara; CONNOLLY, Timothy P.; LANGLEY, David R.; PEESE, Kevin; WANG, Zhongyu; WALKER, Michael A.; KADOW, John F.; WO2015/126376; (2015); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts