N,N-dimethyl-N-{4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]phenyl}amine; N,N-dimethyl-4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]aniline -Drug Synthesis Database

【结构式】

【分子编号】52429

【品名】N,N-dimethyl-N-{4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]phenyl}amine; N,N-dimethyl-4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]aniline

【CA登记号】

【分子式】C₂₇H₄₀N₂SSn

【分子量】543.40408

【元素组成】C 59.68% H 7.42% N 5.16% S 5.9% Sn 21.85%

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：(V)

The cyclization of 4-bromo-2-sulfanylaniline (I) with 4-(dimethylamino)benzaldehyde (II) by heating at 180 C in DMSO gives 6-bromo-2-[4-(dimethylamino)phenyl]benzothiazole (III), which is treated with (Bu3Sn)2 (IV) and Pd(PPh3)4 and TEA in dioxane to yield the tributyltin derivative (V). Finally, this compound is treated with 125INa and H2O2 in ethanol/water to afford the target radiolabeled compound.

参考文献中间体

合成目标

【1】 Zhuang, Z.-P.; et al.; Radioiodinated styrylbenzenes and thioflavins as probes for amyloid aggregates. J Med Chem 2001, 44, 12, 1905.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	25571	2-amino-5-bromobenzenethiol; 2-amino-5-bromophenylhydrosulfide		C₆H₆BrNS	详情	详情
(II)	17771	N,N-Dimethyl-p-aminobenzaldehyde; Ehrlich's reagent; p-Dimethylaminobenzaldehyde; 4-(dimethylamino)benzaldehyde	100-10-7	C₉H₁₁NO	详情	详情
(III)	52427	N-[4-(6-bromo-1,3-benzothiazol-2-yl)phenyl]-N,N-dimethylamine; 4-(6-bromo-1,3-benzothiazol-2-yl)-N,N-dimethylaniline		C₁₅H₁₃BrN₂S	详情	详情
(IV)	52428	Bis(tributyltin); Hexabutyldistannane; Bis(tri-n-butyltin); Hexa-n-butylditin; Hexa-n-butyldistannane	813-19-4	C₂₄H₅₄Sn₂	详情	详情
(V)	52429	N,N-dimethyl-N-{4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]phenyl}amine; N,N-dimethyl-4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]aniline		C₂₇H₄₀N₂SSn	详情	详情

Extended Information