(Z)-N-[2-(Diethylamino)ethyl]-5-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide -Drug Synthesis Database

【结构式】

【分子编号】66752

【品名】(Z)-N-[2-(Diethylamino)ethyl]-5-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide

【CA登记号】326914-13-0

【分子式】C₂₂H₂₇FN₄O₂

【分子量】398.48054

【元素组成】C 66.31% H 6.83% F 4.77% N 14.06% O 8.03%

与该中间体有关的原料药合成路线共 2 条

该中间体在本合成路线中的序号：(X)

【1】 Jin QW, Mnuragis MA, May PD. 2003. Process for preparing aminocarbonylpyrrolylmethylideneindolinones from indolinones, imidazolcarbonylpyrrolecarboxaldehydes, and amines. W0 2003070725
【2】 Manley JM, Kalman MJ, Conway BG, et al. 2003. Early amidation approach to 3-[(4-anudo)pyrrol-2-yl]-2-indolinones. J Org Cbem, 68(16):6447～6450
【3】 Wang JQ, Miller KD, Sledge GW, et aL. 2005. Synthesis of [18F] SU11248, a new potential PET tracer for imaging cancer tyrosine kinase. Bioorg Med Chem lett, 15(19): 4380～4384

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
（IX)	60384	5-fluoro-1,3-dihydro-2H-indol-2-one	56341-41-4	C₈H₆FNO	详情	详情
(I)	11367	4-Methylene-2-oxetanone; Acetyl ketene	674-82-8	C₄H₄O₂	详情	详情
(II)	66748	N-(2-(diethylamino)ethyl)-3-oxobutanamide		C₁₀H₂₀N₂O₂	详情	详情
(III)	27907	Acetoacetic acid tert-butyl ester;3-Oxo-butanoic acid 1,1-dimethylethyl estertert-butyl 3-oxobutanoate	1694-31-1	C₈H₁₄O₃	详情	详情
(IV)	63353	1,1-dimethylethyl 2-(hydroxyimino)-3-oxobutanoate	14352-65-9	C₈H₁₃NO₄	详情	详情
(V)	66749	tert-butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate		C₁₈H₃₁N₃O₃	详情	详情
(VI)	66750	N-(2-(diethylamino)ethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide		C₁₃H₂₃N₃O	详情	详情
(VII)	17643	(Chloromethylene)dimethylammonium chloride; N-(chloromethylene)-N-methylmethanaminium chloride	3724-43-4	C₃H₇Cl₂N	详情	详情
(VIII)	66751	N-((4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-methylmethanaminium chloride		C₁₆H₂₉ClN₄O	详情	详情
(X)	66752	(Z)-N-[2-(Diethylamino)ethyl]-5-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide	326914-13-0	C₂₂H₂₇FN₄O₂	详情	详情

该中间体在本合成路线中的序号：(XI）

【1】 Jin QW, Mnuragis MA, May PD. 2003. Process for preparing aminocarbonylpyrrolylmethylideneindolinones from indolinones, imidazolcarbonylpyrrolecarboxaldehydes, and amines. W0 2003070725
【2】 Manley JM, Kalman MJ, Conway BG, et al. 2003. Early amidation approach to 3-[(4-anudo)pyrrol-2-yl]-2-indolinones. J Org Cbem, 68(16):6447～6450
【3】 Sun L, Liang C, Shirazian S, et aL. 2003. Discovery of 5-[5-Fluoro-2-oxo-l,2-dihydroindol-(3Z)-ylidenemethyl}2,4一dimethyl-lH-pyrrole-3-carboxylic acid (2-diethylaminoethyl) amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase. J Med Chem, 46(7): 1116～1119

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(II)	63353	1,1-dimethylethyl 2-(hydroxyimino)-3-oxobutanoate	14352-65-9	C₈H₁₃NO₄	详情	详情
(VIII)	14754	ethylenediamine;1,2-Diaminoethane;ethane-1,2-diamine；1,2-Ethanediamine	107-15-3	C₂H₈N₂	详情	详情
（IX）	66753	(E)-N-(2-(diethylamino)ethyl)-5-(((2-(diethylamino)ethyl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide		C₂₀H₃₇N₅O	详情	详情
(X）	60384	5-fluoro-1,3-dihydro-2H-indol-2-one	56341-41-4	C₈H₆FNO	详情	详情
(XI）	66752	(Z)-N-[2-(Diethylamino)ethyl]-5-(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide	326914-13-0	C₂₂H₂₇FN₄O₂	详情	详情
(I)	27907	Acetoacetic acid tert-butyl ester;3-Oxo-butanoic acid 1,1-dimethylethyl estertert-butyl 3-oxobutanoate	1694-31-1	C₈H₁₄O₃	详情	详情
(III)	11819	ethyl acetoacetate; ethyl 3-oxobutanoate；Acetoacetic ester;Ethyl beta-ketobutyrate;ethyl 3-oxobutyrate	141-97-9	C₆H₁₀O₃	详情	详情
(IV)	63354	2-(1,1-dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate	86770-31-2	C₁₄H₂₁NO₄	详情	详情
(V)	60380	ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate	2199-51-1	C₉H₁₃NO₂	详情	详情
(VI)	60381	ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate	2199-59-9	C₁₀H₁₃NO₃	详情	详情
(VII)	60382	5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid	253870-02-9	C₈H₉NO₃	详情	详情

Extended Information