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6-Bromo-N-(3-(Difluoromethyl)phenyl)quinolin-4-Amine
Molbank Pub Date : 2020-10-20 , DOI: 10.3390/m1161 Christopher Asquith , Graham Tizzard
Molbank Pub Date : 2020-10-20 , DOI: 10.3390/m1161 Christopher Asquith , Graham Tizzard
A routine synthesis was performed to furnish the title compound which incorporates a versatile difluoromethyl group on the aniline substitution of a 4-anilinoquinoline kinase inhibitor motif. In addition, the small molecule crystal structure (of the HCl salt) was solved, which uncovered that the difluoromethyl group was disordered within the packing arrangement and also a 126.08(7)° out of plane character between the respective ring systems within the molecule. The compound was fully characterized with 1H/13C-NMR and high-resolution mass spectra (HRMS), with the procedures described.
中文翻译:
6-溴-N-(3-(二氟甲基)苯基)喹啉-4-胺
进行常规合成以提供标题化合物,该标题化合物在4-苯胺基喹啉激酶抑制剂基序的苯胺取代基上结合了通用的二氟甲基。此外,解决了(盐酸盐)的小分子晶体结构,发现该结构的二氟甲基基团在堆积排列中无序,并且在分子内各个环系统之间还存在126.08(7)°的平面外特性。采用所描述的程序,使用1H / 13C-NMR和高分辨率质谱(HRMS)对该化合物进行了充分表征。
更新日期:2020-10-20
中文翻译:
6-溴-N-(3-(二氟甲基)苯基)喹啉-4-胺
进行常规合成以提供标题化合物,该标题化合物在4-苯胺基喹啉激酶抑制剂基序的苯胺取代基上结合了通用的二氟甲基。此外,解决了(盐酸盐)的小分子晶体结构,发现该结构的二氟甲基基团在堆积排列中无序,并且在分子内各个环系统之间还存在126.08(7)°的平面外特性。采用所描述的程序,使用1H / 13C-NMR和高分辨率质谱(HRMS)对该化合物进行了充分表征。