N'-(2-cyanoethyl)-4-[(2-iodobenzyl)oxy]benzohydrazide -Drug Synthesis Database

【结构式】

【分子编号】57027

【品名】N'-(2-cyanoethyl)-4-[(2-iodobenzyl)oxy]benzohydrazide

【CA登记号】

【分子式】C₁₇H₁₆IN₃O₂

【分子量】421.23753

【元素组成】C 48.47% H 3.83% I 30.13% N 9.98% O 7.6%

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：(VI)

Alkylation of ethyl 4-hydroxybenzoate (I) with 2-iodobenzyl bromide (II) affords the 4-benzyloxybenzoate (III). Subsequent reaction of ester (III) with hydrazine hydrate produces the hydrazide (IV), which is subjected to a Michael reaction with acrylonitrile (V), yielding (VI). Finally, cyclization of the hydrazide (VI) with triphosgene gives rise to the target ozadiazole derivative.

参考文献中间体

合成目标

【1】 Hirata, M.; et al.; Synthesis and characterization of radioiodinated MD-230254: A new ligand for potential imaging of monoamine oxidase B activity by single photon emission computed tomography. Chem Pharm Bull 2002, 50, 5, 609.

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)	13492	ethyl p-hydroxybenzoate; ethyl 4-hydroxybenzoate	120-47-8	C₉H₁₀O₃	详情	详情
(II)	57024	2-Iodobenzyl bromide; alpha-Bromo-2-iodotoluene	40400-13-3	C₇H₆BrI	详情	详情
(III)	57025	ethyl 4-[(2-iodobenzyl)oxy]benzoate		C₁₆H₁₅IO₃	详情	详情
(IV)	57026	4-[(2-iodobenzyl)oxy]benzohydrazide		C₁₄H₁₃IN₂O₂	详情	详情
(V)	10847	Acrylonitrile	107-13-1	C₃H₃N	详情	详情
(VI)	57027	N'-(2-cyanoethyl)-4-[(2-iodobenzyl)oxy]benzohydrazide		C₁₇H₁₆IN₃O₂	详情	详情

Extended Information