nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate -Drug Synthesis Database

【结构式】

【分子编号】67098

【品名】nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

【CA登记号】　

【分子式】C₃₈H₃₉N₇O₁₆S₂

【分子量】913.897

【元素组成】C 49.94% H 4.30% N 10.73% O 28.01% S 7.02%

与该中间体有关的原料药合成路线共 3 条

合成路线1 合成路线2 合成路线3

合成路线1

该中间体在本合成路线中的序号：(VII)

参考文献中间体

合成目标

【1】 Xu DY, Tang Y, Zhou WC, et al.2007. Preparation of pyrrolidine derivatives as doripenem intermediates. CN 1896057 A.

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)	67093	4-Nitrobenzyl alcohol;p-Nitrobenzyl alcohol	619-73-8	C₇H₇NO₃	详情	详情
(II)	67094	4-nitrobenzyl 2-sulfamoylacetate		C₉H₁₀N₂O₆S	详情	详情
(III)	67095	4-nitrobenzyl 4-(acetylthio)-2-(hydroxymethyl)pyrrolidine-1-carboxylate		C₁₅H₁₈N₂O₆S	详情	详情
(IV)	67096	4-nitrobenzyl 4-(acetylthio)-2-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidine-1-carboxylate		C₂₃H₂₅N₅O₁₁S₂	详情	详情
(V)	67097	4-nitrobenzyl 4-mercapto-2-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidine-1-carboxylate		C₂₁H₂₃N₅O₁₀S₂	详情	详情
(VI)	16100	benzhydryl (4R,5R,6S)-3-[(diphenoxyphosphoryl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate		C₃₅H₃₂NO₈P	详情	详情
(VII)	67098	nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate		C₃₈H₃₉N₇O₁₆S₂	详情	详情

合成路线2

该中间体在本合成路线中的序号：(III)

参考文献中间体

合成目标

【1】 Tewari N, Meeran HNPN, Rai BP, et al. 2006. Aprocess for the preparation of doripenem. WO 2006117763 A2.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	16075	4-methoxybenzyl (4R,5R,6S)-3-[(diphenoxyphosphoryl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate	C₃₀H₃₀NO₉P	详情	详情
(II)	67099	4-nitrobenzyl 4-mercapto-2-((sulfamoylamino)methyl)pyrrolidine-1-carboxylate	C₁₃H₁₈N₄O₆S₂	详情	详情
(III)	67098	nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate	C₃₈H₃₉N₇O₁₆S₂	详情	详情

合成路线3

该中间体在本合成路线中的序号：(V)

参考文献中间体

合成目标

【1】 Kanamoto K.2007. Process for producing carbapenem derivatives through reactions without isolating intermediates. WO 2007020960 A1.

中间体序号	中间体编号	品名	分子式	供应商	用于合成
(I)	67100	4-nitrobenzyl 2-diazo-4-(3-(1-hydroxyethyl)-4-oxoazetidin-2-yl)-3-oxopentanoate	C₁₇H₁₈N₄O₇	详情	详情
(II)	37720	4-nitrobenzyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate	C₁₇H₁₈N₂O₇	详情	详情
(III)	16075	4-methoxybenzyl (4R,5R,6S)-3-[(diphenoxyphosphoryl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate	C₃₀H₃₀NO₉P	详情	详情
(IV)	67099	4-nitrobenzyl 4-mercapto-2-((sulfamoylamino)methyl)pyrrolidine-1-carboxylate	C₁₃H₁₈N₄O₆S₂	详情	详情
(V)	67098	nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-(((((4-nitrobenzyl)oxy)carbonyl)(sulfamoyl)amino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate	C₃₈H₃₉N₇O₁₆S₂	详情	详情

Extended Information