(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 -Drug Synthesis Database

【结构式】

【分子编号】67956

【品名】(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

【CA登记号】　

【分子式】C₂₃H₂₃ClN₆O₂

【分子量】450.928

【元素组成】C 61.26% H 5.14% Cl 7.86% N 18.64% O 7.10%

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：(XXXII)

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 .

参考文献中间体

合成目标

【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