Related Products of 956317-36-5, A common heterocyclic compound, 956317-36-5, name is 5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid, molecular formula is C10H9N3O2, its 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.
5-methyl-2-(2H-1 ,2,3-triazol-2-yl)benzoic acid (1eq; prepared according to WO 2008147518), HOBT (1 eq) and EDCI.HCI (1.5eq) dissolved in dichloromethane (5ml/mmol) were stirred at 25 C for 0.5-2hours, then intermediate 2 (1 eq) dissolved in dichloromethane was added. After 18 hours the mixture was poured in an aqueous saturated solution of NaHCO3 and extracted with dichloromethane. The crude was purified by silica gel column chromatography (DCM to DCM/MeOH = 9/1) to obtain the title compound with yield of 52%.1HNMR (CDCI3) delta ppm 8.22-8.38 (m, 1H), 7.94-8.14 (m, 1H), 7.79-7.86 (m, 1H), 7.69 (m, 1H), 7.50-7.62 (m, 1H), 7.28-7.37(m, 1H), 7.0-7.24(m, 1H), 6.48-6.66 (m, 1H), 5.20(m, 1H), 4.34-4.84 (m, 1H), 3.89-4.0 (m, 1 H),3.65-3.75 (m, 1H), 3.21-3.44 (m, 2H), 3.01-3.11 (m, 1H), 2.26-2.46 (m, 3H), 1.89-2.17 (m, 1H), 1.02-1.28 (m, 1H), 0.19-0.63(m,4H)MS= ESI + m/z 439 [M+H]+
The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.
Reference:
Patent; ROTTAPHARM S.P.A.; STASI, Luigi Piero; ROVATI, Lucio; WO2012/104338; (2012); A1;,
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics