50712-68-0, name is 4-Chloro-2-methylbenzonitrile, 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. name: 4-Chloro-2-methylbenzonitrile
General procedure: A solution of 1-acetyl-4-acetoxy-4-phenylazo-1,2,3,4-tetrahydroquinoline (8,0.25 mmol) in dry CH2Cl2 (2 mL) was added dropwise slowly to a mixture ofnitrile 9 (0.35 mmol) and AlCl3 (0.35 mmol) in CH2Cl2 (5 mL) at -40 C under an atmosphere of nitrogen (exothermic). After stirring at this temperature for0.5 h, the reaction was allowed to warm to room temperature and stirred foradditional 1 h. Then the mixture was cooled to 0 C and extracted with H2O(1 mL 3). The combined aqueous phase was concentrated under reducedpressure and purified by reverse flash column chromatography. The collectedfractions were lyophilized to afford the respective5,6-dihydro-4H-benzo[b][1,2,4]triazolo[1,5-d][1,4]diazepinium salt 10.For the chloride salt 10, reverse flash column chromatography conditions wereas follows: C18, acetonitrile = 5% in H2O and acetonitrile; 0.5% hydrochloricacid in H2O. For the trifluoroacetic salt 10, the reverse flash columnchromatography conditions were: C18, acetonitrile = 5% in H2O andacetonitrile; 0.5% trifluoroacetic acid in H2O.The picric salts 10 were obtained by exchanging the Cl- or CF3COO- anion bytreatment with picric acid. The following procedure was representative: 0.9-1.1%picric acid solution was added dropwise into the corresponding salt 10dissolved in H2O (1 mL) and a brown suspension appeared. The picric acidsolution was added dropwise continually until no further suspension appeared.The mixture was filtered, and the filtered cake was washed with H2O (0.5 mL 2), collected and dried in vacuum to give the picric salt 10.
The synthetic route of 50712-68-0 has been constantly updated, and we look forward to future research findings.
Reference:
Article; Luan, Lin-bo; Song, Zi-jie; Li, Zhi-ming; Wang, Quan-rui; Beilstein Journal of Organic Chemistry; vol. 14; (2018); p. 1826 – 1833;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts