Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 127946-77-4, name is 1-Amino-1-cyclopropanecarbonitrile hydrochloride, This compound has unique chemical properties. The synthetic route is as follows., Quality Control of 1-Amino-1-cyclopropanecarbonitrile hydrochloride
General procedure: Odanacatib acid 1 (60 mg) was dissolved in 3 mL DMAc and cooled to 0 C. Amine (1.2 eq.) and HATU (59 mg) were added. The resulting solution was stirred for 15 min and DIPEA (68 mL) was added. The reaction was stirred for 2.5h. Water was slowly added dropwise and the slurry was stirred 2.5h at room temperature. The mixture was filtered and the solid material was washed with a 1 :1.2 DMF/water solution, water and 2-propanol. The material was removed from the filter by addition of THF. The filtrate was concentrated and purified by FCC (silica, gradient DCM to 2% MeOH in DCM). The products were obtained as a white solid.According to general procedure A, the reaction between Odanacatib acid 1 (59.8 mg) and 1-amino-cyclopropanecarbonitrile hydrogenchloride (18.5 mg) afforded product ODN as a white solid 1 H NMR (300 MHz, CDCI3) d = 8.03 (d, J = 8.4 Hz, 2H), 7.77 (d, J = 8.8 Hz, 2H), 7.65 (d, J = 8.1 Hz, 2H), 7.48 (d, J = 8.1 Hz, 2H), 7.42 (s, 1 H), 4.17 (q, J = 7.2 Hz, (0199) 1 H), 3.59 (dd, J = 8.9, 3.3 Hz, 1 H), 3.10 (s, 3H), 2.17 – 1.85 (m, 2H), 1.56 – 1.44 (m, 2H), 1.47 (d, J = 21.7 Hz, 3H), 1.44 (d, J = 22.0 Hz, 3H), 1.1 1 – 0.85 (m, 2H). 13C NMR (75 MHz, CDCI3) d = 174.42, 145.69, 140.57, 139.94, 134.53, 129.40, 128.22, 128.20, 126.02 (0200) (q, J = 279.3 Hz), 119.56, 96.84 (d, J = 163.8 Hz), 63.44 (q, J = 29.3 Hz), 59.03, 44.75, 43.64 (d, J = 19.9 Hz), 28.37 (d, J = 24.4 Hz), 25.83 (d, J = 24.7 Hz), 20.21 , 16.86, 16.48. HRMS (ESI+): calculated for C25H28F4N303S [M+H]+ 526.1788, found: 526.1816.
Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 127946-77-4.
Reference:
Patent; ACADEMISCH ZIEKENHUIS LEIDEN (H.O.D.N. LUMC); OVAA, Huib; MONS, Maria Wilhelmina Elisabeth; VAN BOECKEL, Stan; (47 pag.)WO2019/112426; (2019); A1;,
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