N-(4-bromophenyl)-1,3-benzothiazol-2-amine; N-(1,3-benzothiazol-2-yl)-N-(4-bromophenyl)amine -Drug Synthesis Database

【结构式】

【分子编号】42220

【品名】N-(4-bromophenyl)-1,3-benzothiazol-2-amine; N-(1,3-benzothiazol-2-yl)-N-(4-bromophenyl)amine

【CA登记号】

【分子式】C₁₃H₉BrN₂S

【分子量】305.19794

【元素组成】C 51.16% H 2.97% Br 26.18% N 9.18% S 10.51%

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：(XI)

In a different procedure, N-(4-bromophenyl)-2-benzothiazolamine (XI) was converted into the lithio derivative and subsequently condensed with 2-ethylbutanal (XII) to give carbinol (XIII). Treatment of (XIII) with methanesulfonyl chloride and triethylamine provided mesylate (XIV), which was finally displaced by 1,2,4-triazole (V), yielding the title compound.

参考文献中间体

合成目标

【1】 Venet, M.G.; Mabire, D.J.-P.; Lacrampe, J.F.A.; Sanz, G.C. (Janssen Pharmaceutica NV); N-[4-(heteroarylmethyl)phenyl]-heteroarylamines. EP 0907650; JP 2000503670; US 6124330; WO 9749704 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(V)	13135	1H-1,2,4-Triazole; 1,2,4-Triazole	288-88-0	C₂H₃N₃	详情	详情
(XI)	42220	N-(4-bromophenyl)-1,3-benzothiazol-2-amine; N-(1,3-benzothiazol-2-yl)-N-(4-bromophenyl)amine		C₁₃H₉BrN₂S	详情	详情
(XII)	42221	2-ethylbutanal	97-96-1	C₆H₁₂O	详情	详情
(XIII)	42222	1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethyl-1-butanol		C₁₉H₂₂N₂OS	详情	详情
(XIV)	42223	1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-2-ethylbutyl methanesulfonate		C₂₀H₂₄N₂O₃S₂	详情	详情

Extended Information