4-(2-(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid -Drug Synthesis Database

【结构式】

【分子编号】66579

【品名】4-(2-(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid

【CA登记号】　

【分子式】C₁₅H₁₄N₄O₃

【分子量】298.30132

【元素组成】C 60.4% H 4.73% N 18.78% O 16.09%

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：(IV)

【1】 Taylor EC, Liu B 2000. Process for the preparation of pyrrolo [2,3-d] pyrirnidines. W0 2000011004
【2】 Taylor EC, Liu R. 2002. A new and efficient synthesis of pyrrolo [2,3-d] pyrimidines. anticancer agents: alimta (LY231514, MTA), homo-alimta, TNP-351, and some aryl 5-substituted pyrrolo [2,3-d] pyrimidines. J Org Chem, 68: 9938～9947

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	14800	ethyl 4-(3-oxopropyl)benzoate	C₁₂H₁₄O₃	详情	详情
(II)	66577	(E)-ethyl 4-(4-nitrobut-3-en-1-yl)benzoate	C₁₃H₁₅NO₄	详情	详情
(III)	66578	ethyl 4-(3-(2,4-diamino-6-hydroxypyrimidin-5-yl)-4-nitrobutyl)benzoate	C₁₇H₂₁N₅O₅	详情	详情
(IV)	66579	4-(2-(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid	C₁₅H₁₄N₄O₃	详情	详情
(V)	11013	diethyl (2S)-2-aminopentanedioate	C₉H₁₇NO₄	详情	详情
(VI)	14807	diethyl (2S)-2-([4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino)pentanedioate	C₂₄H₂₉N₅O₆	详情	详情

该中间体在本合成路线中的序号：(V)

【1】 Barnett CJ. Wilson TM, 1995. Process for preparing 5-substituted pyrrolo[2.3-d] pyrimidines via heterocyclization of 2,4-diamino-6-hyldroxypyrimidine with halo aldehydes. Cort. -in-part of U.S. Ser.No.951 515,abandoned. US 5416211

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
（III)	66577	(E)-ethyl 4-(4-nitrobut-3-en-1-yl)benzoate		C₁₃H₁₅NO₄	详情	详情
(I)	23796	ethyl 4-iodobenzoate	51934-41-9	C₉H₉IO₂	详情	详情
(II)	14800	ethyl 4-(3-oxopropyl)benzoate		C₁₂H₁₄O₃	详情	详情
(IV)	66578	ethyl 4-(3-(2,4-diamino-6-hydroxypyrimidin-5-yl)-4-nitrobutyl)benzoate		C₁₇H₂₁N₅O₅	详情	详情
(V)	66579	4-(2-(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoic acid		C₁₅H₁₄N₄O₃	详情	详情

Extended Information