1194-02-1, name is 4-Fluorobenzonitrile, 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. Product Details of 1194-02-1
A mixture of 4-fluorobenzonitrile (5 g, 41.3 mmol), dibutyltin oxide (2.055 g, 8.26 mmol), and trimethylsilyl azide (8.22 mL, 61.9 mmol) in toluene (165 mL) was heated to 100 C and stirred for 16.5 hours. After cooling to room temperature, the organic layer was extracted with NaOH 1 M (83 mL) and the aqueous layer was washed with EtOAc (2 x 85 mL). The aqueous layer was acidified with HCI 2M (41.3 mL) to pH 2. The aqueous mixture was extracted twice with EtOAc (200 mL then 100 mL) and the combined organic layers were washed with brine (60 mL), dried over anh. MgS04, filtered and concentrated to dryness to give Intermediate 1A, (5-(4- fluorophenyl)-2H-tetrazole, 6.61 g, 98% yield) as a white solid; H NMR (400 MHz, DMSO-d6) delta ppm 7.42 – 7.53 (m, 2 H) 8.04 – 8.14 (m, 2 H); MS m/z 165.2 (M+H)+; HPLC >99.5%, RT = 1.96 minutes.
The synthetic route of 1194-02-1 has been constantly updated, and we look forward to future research findings.
Reference:
Patent; UNIVERSITE DE MONTREAL; BC CANCER AGENCY; FRED HUTCHINSON CANCER RESEARCH CENTER; SAUVAGEAU, Guy; HUMPHRIES, Keith Richard; KIEM, Hans-Peter; FARES, Iman; CHAGRAOUI, Jalila; (122 pag.)WO2016/41080; (2016); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts