ethyl (E)-3-(3-(4-chlorophenoxy)-5,6-bis{[4-(phenylsulfanyl)benzyl]oxy}-1-benzothiophen-2-yl)-2-(4-pyridinyl)-2-propenoate -Drug Synthesis Database

【结构式】

【分子编号】64855

【品名】ethyl (E)-3-(3-(4-chlorophenoxy)-5,6-bis{[4-(phenylsulfanyl)benzyl]oxy}-1-benzothiophen-2-yl)-2-(4-pyridinyl)-2-propenoate

【CA登记号】

【分子式】C₅₀H₃₈ClNO₅S₃

【分子量】864.50616

【元素组成】C 69.47% H 4.43% Cl 4.1% N 1.62% O 9.25% S 11.13%

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：(XII)

Knoevenagel condensation of aldehyde (X) with ethyl pyridylacetate (XI) in the presence of Ac2O leads to the unsaturated ester (XII), which is finally submitted to saponification with ethanolic NaOH to furnish the corresponding carboxylic acid.

参考文献中间体

合成目标

【1】 De Nanteuil, G.; Lila-Ambroise, C.; Rupin, A.; Vallez, M.-O.; Verbeuren, T.J.; New fibrinolytic agents: Benzothiophene derivatives as inhibitors of the t-PA-PAI-1 complex formation. Bioorg Med Chem Lett 2003, 13, 10, 1705.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(X)	64854	3-(4-chlorophenoxy)-5,6-bis{[4-(phenylsulfanyl)benzyl]oxy}-1-benzothiophene-2-carbaldehyde		C₄₁H₂₉ClO₄S₃	详情	详情
(XI)	10849	ethyl 2-(4-pyridinyl)acetate; Ethyl 4-pyridylacetate	54401-85-3	C₉H₁₁NO₂	详情	详情
(XII)	64855	ethyl (E)-3-(3-(4-chlorophenoxy)-5,6-bis{[4-(phenylsulfanyl)benzyl]oxy}-1-benzothiophen-2-yl)-2-(4-pyridinyl)-2-propenoate		C₅₀H₃₈ClNO₅S₃	详情	详情

Extended Information