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CAS 107-02-8
2-Propen-1-oneacrylaldehyde2-PropenalAcrylaldehyde
登记编号：(X)101438-68-a、GRAZ-019、Folic Acid-041、(XVII)965082-1-c、CENSA-020
应用背景（按来源药适应症）
乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate丙型肝炎Grazoprevir HydrateHIV感染Grazoprevir Hydrate慢性丙型肝炎Grazoprevir Hydrate肾功能不全Grazoprevir Hydrate原发性高血压马来酸依那普利/叶酸胰腺癌紫杉醇非小细胞肺癌紫杉醇霍奇金病紫杉醇精原细胞瘤紫杉醇卵巢癌紫杉醇乳腺癌紫杉醇巨幼红细胞性贫血叶酸叶酸缺乏叶酸神经管缺损叶酸贫血叶酸热潮红叶酸高同型半胱氨酸血症叶酸边缘带B细胞淋巴瘤奥布替尼套细胞淋巴瘤奥布替尼慢性淋巴细胞白血病奥布替尼特发性血小板减少性紫癜奥布替尼系统性红斑狼疮奥布替尼多发性硬化奥布替尼进行性核上性麻痹Censavudine额颞痴呆Censavudine肌萎缩性侧索硬化CensavudineAicardi综合征CensavudineHIV感染Censavudine
来源药（使用该中间体的合成路线）
| 品种 | 梯队 | 到期年 |
|---|---|---|
| Paclitaxel/Encequidar mesylate | Tier C · 观察 / 贸易 | - |
| Grazoprevir Hydrate | Tier C · 观察 / 贸易 | - |
| 马来酸依那普利/叶酸Enalapril Maleate/Folic Acid | Tier C · 观察 / 贸易 | - |
| 紫杉醇Paclitaxel | Tier B · 提前布局 | - |
| 叶酸Folic Acid | Tier C · 观察 / 贸易 | - |
| 奥布替尼Orelabrutinib | Tier C · 观察 / 贸易 | - |
| Censavudine | Tier C · 观察 / 贸易 | - |
合成路线中的位置（上下游链）
按路线登记顺序排列，左→右为合成方向；高亮为当前 CAS，其余可点击跳转对应档案。
(3S,4aR,6R,11S,12aS)-3-Bromo-9,12a,13,13-tetramethyl-11-[(triethylsilyl)oxy]-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(3S,4aR,6R,12aR)-3-Bromo-9,12a,13,13-tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,11S,12aS)-9,12a,13,13-Tetramethyl-11-[(triethylsilyl)oxy]-4a,6,7,11,12,12a-hexahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→1,1-Dibromo-2,2,3,3-tetramethylcyclopropane→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,6,7,8,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5(1H,4aH)-dione→(Vinyl)magnesium bromide→1,1,2,2-Tetramethylethylene→2-Hydroxy-2-methylbutanoic acid→2-Propen-1-one→3-(3-Isopropenyl-4-methyl-3-pentenyl)-2-cyclohexen-1-one→3-Bromo-2,4-dimethylpenta-1,3-diene→3-Ethenylcyclohex-2-en-1-one→3-Ethoxy-2-cyclohexen-1-one→Aluminum trimethanide→Methylmagnesium bromide→Bromoform→Trimethyl([(3S)-3-methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]cyclohex-1-en-1-yl]oxy)silane→(2beta,4alpha,10beta,13alpha)-10-[(Triethylsilyl)oxy](2-~2~H)taxa-5,11-diene-2,4,13-triol→(2S,3S)-2,3-Dimethyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one→(2S,3S)-3-Methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one
4-methoxybenzene-1,2-diamine dihydrochloride→diethyl oxalate→6-methoxyquinoxaline-2,3-diol→3-chloro-7-methoxyquinoxalin-2-ol→(2S,4S)-1-tert-butyl 2-methyl 4-(((4-bromophenyl)sulfonyl)oxy)pyrrolidine-1,2-dicarboxylate→1-(tert-butyl) 2-methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-1,2-dicarboxylate→methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)pyrrolidine-2-carboxylate hydrochloride→(R)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoic acid→methyl (2S,4R)-4-((3-chloro-7-methoxyquinoxalin-2-yl)oxy)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)pyrrolidine-2-carboxylate→potassium trifluoro(vinyl)borate→methyl (2S,4R)-1-((S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoyl)-4-((7-methoxy-3-vinylquinoxalin-2-yl)oxy)pyrrolidine-2-carboxylate→GRAZ-012→methyl (33R,35S,91R,92R,5S,E)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphan-13-ene-35-carboxylate→methyl (33R,35S,91R,92R,5S)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylate→(33R,35S,91R,92R,5S)-5-(tert-butyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxylic acid→(1R,2S)-1-amino-N-(cyclopropylsulfonyl)-2-vinylcyclopropanecarboxamide hydrochloride→(33R,35S,91R,92R,5S)-5-(tert-butyl)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)-17-methoxy-4,7-dioxo-2,8-dioxa-6-aza-1(2,3)-quinoxalina-3(3,1)-pyrrolidina-9(1,2)-cyclopropanacyclotetradecaphane-35-carboxamide→but-3-en-1-ylmagnesium bromide→acrylaldehyde→(E)-(hepta-1,6-dien-1-yloxy)trimethylsilane→trimethyl(2-(pent-4-en-1-yl)cyclopropoxy)silane→2-(pent-4-en-1-yl)cyclopropan-1-ol→(1R,2R)-2-(pent-4-en-1-yl)cyclopropyl acetate→(1R,2R)-2-(pent-4-en-1-yl)cyclopropan-1-ol→methyl (S)-2-isocyanato-3,3-dimethylbutanoate→methyl (S)-3,3-dimethyl-2-((((1R,2R)-2-(pent-4-en-1-yl)cyclopropoxy)carbonyl)amino)butanoate
2-Propenal→2,3-Dibromopropanal→2-Bromo-1,1,3-triethoxypropane→1,3,3-Triethoxyprop-1-ene→1,2-Dibromo-1,3,3-triethoxypropane→2-Bromo-3,3-diethoxypropanal→2,5,6-Triaminopyrimidin-4(5H)-one hydrochloride→2-Amino-6-(diethoxymethyl)pteridin-4(1H)-one→N-[6-(Diethoxymethyl)-4-oxo-1,4-dihydropteridin-2-yl]acetamide→N-(6-Formyl-4-oxo-1,4-dihydropteridin-2-yl)acetamide→N-(4-Aminobenzoyl)-L-glutamic acid→N-([4-[[[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl](formyl)amino]phenyl]carbonyl)-L-glutamic acid→N-[[4-([[2-(Acetylamino)-4-oxo-1,4-dihydropteridin-6-yl]methyl]amino)phenyl]carbonyl]-L-glutamic acid
2-Cyanoacetic acid ethyl ester→Aminoformamidine hydrochloride→2,4-Diamino-6-hydroxypyrimidine→2,4-Diamino-6-hydroxy-5-nitrosopyrimidine→2,5,6-Triaminopyrimidin-4(5H)-one→2-Propenal→Methyl 4-aminobenzoate→Methyl 4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzoate→L-Glutamic acid monosodium salt
(3S,4aR,6R,11S,12aS)-3-Bromo-9,12a,13,13-tetramethyl-11-[(triethylsilyl)oxy]-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(3S,4aR,6R,12aR)-3-Bromo-9,12a,13,13-tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,11S,12aS)-9,12a,13,13-Tetramethyl-11-[(triethylsilyl)oxy]-4a,6,7,11,12,12a-hexahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,4a,6,7,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5,8(1H)-trione→1,1-Dibromo-2,2,3,3-tetramethylcyclopropane→(4aS,6R,12aS)-9,12a,13,13-Tetramethyl-2,3,6,7,8,11,12,12a-octahydro-6,10-methanobenzo[10]annulene-4,5(1H,4aH)-dione→(Vinyl)magnesium bromide→1,1,2,2-Tetramethylethylene→2-Hydroxy-2-methylbutanoic acid→2-Propen-1-one→3-(3-Isopropenyl-4-methyl-3-pentenyl)-2-cyclohexen-1-one→3-Bromo-2,4-dimethylpenta-1,3-diene→3-Ethenylcyclohex-2-en-1-one→3-Ethoxy-2-cyclohexen-1-one→Aluminum trimethanide→Methylmagnesium bromide→Bromoform→Trimethyl([(3S)-3-methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]cyclohex-1-en-1-yl]oxy)silane→(2beta,4alpha,10beta,13alpha)-10-[(Triethylsilyl)oxy](2-~2~H)taxa-5,11-diene-2,4,13-triol→(2S,3S)-2,3-Dimethyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one→(2S,3S)-3-Methyl-3-[4-methyl-3-(prop-1-en-2-yl)pent-3-en-1-yl]-2-(prop-2-enoyl)cyclohexan-1-one
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