【结 构 式】 |
【分子编号】67081 【品名】nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate 【CA登记号】 |
【 分 子 式 】C30H34N6O12S2 【 分 子 量 】734.765 【元素组成】C 49.04% H 4.66% N 11.44% O 26.13% S 8.73% |
与该中间体有关的原料药合成路线共 3 条
合成路线1
该中间体在本合成路线中的序号:(IV)
【1】 Nishino Y, Kobayashi M, Shinno T.2003.Practical large-scale synthesis of doripenem: a novel 1β-methylcarbapenem antibiotic. Orangic Process Research & Development, 7:846. |
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) | 67079 | (2S,4S)-4-nitrobenzyl 4-(acetylthio)-2-(((tert-butoxycarbonyl)(sulfamoyl)amino)methyl)pyrrolidine-1-carboxylate | 491878-06-9 | C20H28N4O9S2 | 详情 | 详情 |
(II) | 67080 | (2R,4R)-4-nitrobenzyl 4-(acetylthio)-2-((sulfamoylamino)methyl)pyrrolidine-1-carboxylate | C15H20N4O7S2 | 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) | 67081 | nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C30H34N6O12S2 | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号:(VIII)
【1】 Tang ZJ, Zhang QW, Shi HL.2007.Preparation of pyrrolidinothiocarbapenem derivative and intermediate. CN 101007806. |
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) | 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) | 67086 | 4-nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-4-methyl-7-oxo-6-(1-((trimethylsilyl)oxy)ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C32H35N2O10PSi | 详情 | 详情 | |
(III) | 67087 | 4-nitrobenzyl 2-(hydroxymethyl)-4-mercaptopyrrolidine-1-carboxylate | C13H16N2O5S | 详情 | 详情 | |
(IV) | 67088 | 4-nitrobenzyl 3-((5-(hydroxymethyl)-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidin-3-yl)thio)-4-methyl-7-oxo-6-(1-((trimethylsilyl)oxy)ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C33H40N4O11SSi | 详情 | 详情 | |
(V) | 16097 | tert-butyl 2,2-dioxo-2lambda(6)-diazathiane-1-carboxylate | 148017-28-1 | C5H12N2O4S | 详情 | 详情 |
(VI) | 67089 | 4-nitrobenzyl 3-((5-(((tert-butoxycarbonyl)(sulfamoyl)amino)methyl)-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidin-3-yl)thio)-4-methyl-7-oxo-6-(1-((trimethylsilyl)oxy)ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C38H50N6O14S2Si | 详情 | 详情 | |
(VII) | 67090 | 4-nitrobenzyl 3-((5-(((tert-butoxycarbonyl)(sulfamoyl)amino)methyl)-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidin-3-yl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C35H42N6O14S2 | 详情 | 详情 | |
(VIII) | 67081 | nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C30H34N6O12S2 | 详情 | 详情 | |
(IX) | 67085 | 4-nitrobenzyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-((5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C22H29N5O8S2 | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号:(IV)
【1】 Liu K, Gao XS. Li Y, et al.2009. Process for preparation of doripenem. CN 101348485. |
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) | 67091 | 4-methoxybenzyl 3-((3-(aminomethyl)-4-(((4-nitrobenzyl)oxy)carbonyl)cyclopentyl)thio)-4-methyl-7-oxo-6-(1-((trimethylsilyl)oxy)ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C35H45N3O9SSi | 详情 | 详情 | |
(II) | 40598 | amidosulfonoyl chloride | 7778-42-9 | H2ClNO2S | 详情 | 详情 |
(III) | 67092 | nitro(phenyl)methyl 4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-7-oxo-6-(1-((trimethylsilyl)oxy)ethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C33H42N6O12S2Si | 详情 | 详情 | |
(IV) | 67081 | nitro(phenyl)methyl 6-(1-hydroxyethyl)-4-methyl-3-((1-(((4-nitrobenzyl)oxy)carbonyl)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C30H34N6O12S2 | 详情 | 详情 | |
(V) | 67085 | 4-nitrobenzyl 6-(1-hydroxyethyl)-4-methyl-7-oxo-3-((5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | C22H29N5O8S2 | 详情 | 详情 |
Extended Information