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【结 构 式】

【分子编号】67955

【品名】(7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone

【CA登记号】 

【 分 子 式 】C16H21N5O

【 分 子 量 】299.376

【元素组成】C 64.19% H 7.07% N 23.39% O 5.34%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:rac-(XIII)

Preparation of racemic suvorexant was used as a proof of the direct amination of benzoxazoles using 2,2,6,6-tetramethylpiperidine-Noxoammonium tetrafluoroborate as organic oxidant. In this case, chlorobenzoxazole (XVII) was aminated by racemic diazepane rac-(XIII) using Sc(OTf)3 and TEMPOBF4 to provide racemic suvorexant in 84% yield .

1 Wertz, S., Kodama, S., Studer, A. Amination of benzoxazoles and 1,3,4-oxadiazoles using 2,2,6,6-tetramethylpiperidine-N-oxoammonium tetrafluoroborate as an organic oxidant. Angew Chem Int Ed 2011, 50(48): 11511-5.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
rac-(XIII) 67955 (7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone   C16H21N5O 详情 详情
(XVII) 67943 5-chlorobenzo[d]oxazole 17200-29-2 C7H4ClNO 详情 详情
(XXXII) 67956 (4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone   C23H23ClN6O2 详情 详情
Extended Information