(1R,2R,3S,11R,12S,14R,26R)-26-amino-5,12-dihydroxy-6-methoxy-7,21,30-trimethyl-27-oxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.1(3,11).0(2,13).0(4,9).0(15,23).0(16,20)]triaconta-4,6,8,15,20,22-hexaen-22-yl acetate -Drug Synthesis Database

【结构式】

【分子编号】41792

【品名】(1R,2R,3S,11R,12S,14R,26R)-26-amino-5,12-dihydroxy-6-methoxy-7,21,30-trimethyl-27-oxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.1(3,11).0(2,13).0(4,9).0(15,23).0(16,20)]triaconta-4,6,8,15,20,22-hexaen-22-yl acetate

【CA登记号】

【分子式】C₃₀H₃₅N₃O₉S

【分子量】613.68872

【元素组成】C 58.72% H 5.75% N 6.85% O 23.46% S 5.23%

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：(XIX)

Intermediate (XVII) by a treatment with Zn and HOAc eliminates the Troc protecting group, giving the primary amine (XVIII). This compound by treatment with 4-formyl-1-methylpyridinium iodide (NMPC), DBU and oxalic acid in order to convert the nitrile group into an alcohol, provides compund (XIX), which is finally cyclized with 2-(3-hydroxy-4-methoxyphenyl)ethylamine (XX) by means of SiO2 / EtOH, followed treatment with and AgNO3 in acetonitrile/water.

参考文献中间体

合成目标

【1】 Cuevas, C.; Martin, M.J.; Perez, M.; et al.; Synthesis of ecteinascidin ET-743 and phathalascidin Pt-650 from cyanosafracin B. Org Lett 2000, 2, 16, 2545.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(XVII)	41790		C₃₄H₃₅Cl₃N₄O₁₀S	详情	详情
(XVIII)	41791	(1R,2R,3S,11R,12R,14R,26R)-26-amino-12-cyano-5-hydroxy-6-methoxy-7,21,30-trimethyl-27-oxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.1(3,11).0(2,13).0(4,9).0(15,23).0(16,20)]triaconta-4,6,8,15,20,22-hexaen-22-yl acetate	C₃₁H₃₄N₄O₈S	详情	详情
(XIX)	41792	(1R,2R,3S,11R,12S,14R,26R)-26-amino-5,12-dihydroxy-6-methoxy-7,21,30-trimethyl-27-oxo-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.1(3,11).0(2,13).0(4,9).0(15,23).0(16,20)]triaconta-4,6,8,15,20,22-hexaen-22-yl acetate	C₃₀H₃₅N₃O₉S	详情	详情
(XX)	36471	5-(2-aminoethyl)-2-methoxyphenol	C₉H₁₃NO₂	详情	详情

Extended Information