127946-77-4, name is 1-Amino-1-cyclopropanecarbonitrile hydrochloride, belongs to nitriles-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Computed Properties of C4H7ClN2
To a vial containing (lR,2R,5S)-2-(2-(ieri-butyl)-5-(4-(l-imino-l- oxidothiomorpholino)phenyl)oxazol-4-yl)-5-fluorocyclohexanecarboxylic acid (12 mg, 0.025 mmol) was added 1-aminocyclopropanecarbonitrile hydrochloride (72.5 mg, 0.61 1 mmol), DIPEA (1 15 uL, 0.696 mmol), and HATU (13.4 mg, 0.035 mmol). The resulting mixture was heated at 65 C for 4.5 hours. The reaction mixture was cooled to RT. The crude mixture was purified directly via reverse phase preparative HPLC (water/10 to 75% MeCN, 0.1 % TFA, 15 min). Fractions with the desired product after HPLC were treated with saturated NaHCC>3 and extracted with CH2CI2 (3 x 10 mL), then EtOAc, washed with brine (30 mL), dried (MgS04), and evaparated under reduced pressure giving 8.2 mg (60%) of (2R,5S)-2-(2-(/er/-butyl)-5-(4-(l-imino-l – oxidothiomorpholino)phenyl)oxazol-4-yl)-N-(l -cyanocyclopropyl)-5- fiuorocyclohexanecarboxamide (Compound 13).1H NMR (500 MHz, CDCl3): delta 0.89-0.84 (m; 2 H); 0.98-0.93 (m; 1 H); 1.33-1.28 (m; 1 H); 1.41-1.39 (m; 1 H); 1.43 (s; 9 H); 2.07-1.92 (m; 3 H); 2.15 (br t; J = 16.14 Hz; 2 H); 2.99 (t; J = 1 1.59 Hz; 1 H); 3.17-3.13 (m; 5 H); 3.94-3.86 (m; 4 H); 5.00 (d; J = 47.85 Hz; 1 H); 6.35 (s; 1 H); 6.95 (d; J = 8.51 Hz; 2 H); 7.46 (d; J = 8.47 Hz; 2 H); MS (ES, m/z): 542.2 (M + 1)
The synthetic route of 127946-77-4 has been constantly updated, and we look forward to future research findings.