2-(4-nitrophenyl)-1,3-benzothiazole -Drug Synthesis Database

【结构式】

【分子编号】58508

【品名】2-(4-nitrophenyl)-1,3-benzothiazole

【CA登记号】

【分子式】C₁₃H₈N₂O₂S

【分子量】256.2848

【元素组成】C 60.93% H 3.15% N 10.93% O 12.49% S 12.51%

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：(III)

Condensation of 2-aminothiophenol (I) with 4-nitrobenzoyl chloride (II) produces the benzothiazole (III). Reduction of the nitro group of (III) by means of SnCl2 in refluxing EtOH yields aniline (IV). Then, alkylation of (IV) with 11C-labeled iodomethane gives rise to the target 11C-methylated aniline.

参考文献中间体

合成目标

【1】 Mathis, C.A.; et al.; A lipophilic thioflavin-T derivative for positron emission tomography (PET) imaging of amyloid in brain. Bioorg Med Chem Lett 2002, 12, 3, 295.
【2】 Wang, Y.; Klunk, W.E.; Mathis, C.A. Jr. (University of Pittsburgh); Thioflavin derivs. for use in antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition. WO 0216333 .

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)	25182	2-aminobenzenethiol	137-07-5	C₆H₇NS	详情	详情
(II)	18941	p-nitrobenzoyl chloride; 4-nitrobenzoyl chloride	122-04-3	C₇H₄ClNO₃	详情	详情
(III)	58508	2-(4-nitrophenyl)-1,3-benzothiazole		C₁₃H₈N₂O₂S	详情	详情
(IV)	58509	4-(1,3-benzothiazol-2-yl)aniline; 4-(1,3-benzothiazol-2-yl)phenylamine		C₁₃H₁₀N₂S	详情	详情

Extended Information