(3R,4R,5S)-4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid | 764639-63-6
中文名称
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中文别名
——
英文名称
(3R,4R,5S)-4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid
英文别名
(3R,4R,5S)-4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylic acid；(3R,4R,5S)-4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid；(3R,4R,5S)-4-acetamido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CAS
764639-63-6
化学式
C19H32N2O6
mdl
——
分子量
384.473
InChiKey
BNGWANQLKNMCCM-ARFHVFGLSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：591.2±50.0 °C(Predicted)
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密度：1.15±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：2.1
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重原子数：27
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可旋转键数：9
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环数：1.0
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sp3杂化的碳原子比例：0.74
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拓扑面积：114
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氢给体数：3
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氢受体数：6
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— (3R,4R,5S)-ethyl 4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate 367252-68-4 C21H36N2O6 412.527 奥司他韦酒石酸盐 oseltamivir acid 187227-45-8 C14H24N2O4 284.356 奥司他韦 oseltamivir 196618-13-0 C16H28N2O4 312.409 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— N-[(1S,5R,6R)-6-acetylamino-5-(1-ethylpropoxy)-3-formyl-3-cyclohexen-1-yl]carbamic acid tert-butyl ester 1254975-26-2 C19H32N2O5 368.473 —— N-[(1S,5R,6R)-6-acetylamino-5-(1-ethylpropoxy)-3-hydroxymethyl-3-cyclohexen-1-yl]carbamic acid tert-butyl ester 1254975-25-1 C19H34N2O5 370.489 —— tert-butyl ((1S,5R,6R)-6-acetamido-3-((2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)ethyl)carbamoyl)-5-(pentan-3-yloxy)cyclohex-3-en-1-yl)carbamate —— C43H68N4O6 737.036 —— (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) (3R,4R,5S)-4-acetamido-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate 1373702-86-3 C23H35N3O6S2 513.679 —— (3R,4R,5S)-4-acetamido-5-amino-N-(2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)ethyl)-3-(pentan-3-yloxy)cyclohex-1-enecarboxamide —— C38H60N4O4 636.919 —— (3R,4R,5S)-4-acetamido-5-[(tert-butoxycarbonyl)-amino]-3-(1-ethylpropoxy)-1-bromocyclohexene 1062100-84-8 C18H31BrN2O4 419.359 —— (3R,4R,5S)-4-acetamido-N-(4-fluorobenzyl)-3-(pentan-3-yloxy)-5-((4-(pyrrolidin-1-yl)benzyl)amino)cyclohex-1-ene-1-carboxamide —— C32H43FN4O3 550.717 —— methyl (3R,4R,5S)-4-acetamido-5-[(tert-butoxycarbonyl)-amino]-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate —— C19H35N2O7P 434.47 —— diethyl (3R,4R,5S)-4-acetamido-5-tert-butoxycarbonylamino-3-(1-ethylpropoxy)cyclohex-1-ene-1-phosphonate 1062100-87-1 C22H41N2O7P 476.55 —— (3R,4R,5S)-4-acetamido-5-amino-N-(2-(1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)ethyl)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxamide —— C25H35BrN6O3 547.495 —— (3R,4R,5S)-4-acetamido-5-amino-3-(pentan-3-yloxy)-N-((1-((phenylthio)methyl)-1H-1,2,3-triazol-4-yl)methyl)cyclohex-1-ene-1-carboxamide —— C24H34N6O3S 486.638 —— (3R,4R,5S)-4-acetamido-5-amino-N-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxamide —— C24H33ClN6O3 489.017 —— N-phenylsulfonyl (3R,4R,5S)-4-acetamido-5-guanidino-3-(1-ethylpropoxy)-1-cyclohexenecarboxamide —— C21H31N5O5S 465.574 —— (3R,4R,5S)-[4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene]sulfonic acid —— C13H24N2O5S 320.41 —— (-)-tamiphosphor 949962-56-5 C13H25N2O5P 320.326 —— tert-butyl N-[(1S,5R,6R)-6-acetamido-3-[5-[hydroxy(pyridin-3-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-pentan-3-yloxycyclohex-3-en-1-yl]carbamate 1445503-79-6 C26H37N5O6 515.61 —— methyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate 1158845-36-3 C14H27N2O5P 334.353 —— diethyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate 950478-34-9 C17H33N2O5P 376.433 —— [(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]-ethoxyphosphinic acid 1122748-00-8 C15H29N2O5P 348.379 —— monobutyl (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate 1616376-29-4 C17H33N2O5P 376.433 —— n-butyl (3R,4R,5S)-[4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene]sulfonate —— C17H32N2O5S 376.517 —— [(3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexen-1-yl]-hexoxyphosphinic acid 1158845-41-0 C19H37N2O5P 404.487 —— diethyl (3R,4R,5S)-4-acetamido-5-[N2,N3-bis(tert-butoxycarbonyl)guanidino]-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate —— C28H51N4O9P 618.708 —— (3R,4R,5S)-4-acetamido-5-guanidino-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonic acid 949962-57-6 C14H27N4O5P 362.366 —— mono(3-phenylprop-1-yl) (3R,4R,5S)-4-acetamido-5-amino-3-(1-ethylpropoxy)-1-cyclohexene-1-phosphonate 1616376-30-7 C22H35N2O5P 438.504 —— Guanidino-Tamiphosphor Diethyl Ester 1401808-94-3 C18H35N4O5P 418.473 —— [(3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxycyclohexen-1-yl]-ethoxyphosphinic acid 1122748-01-9 C16H31N4O5P 390.42 —— monobutyl (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-1-cyclohexene-1-phosphonate 1616376-23-8 C18H35N4O5P 418.473 —— monohexyl (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-1-cyclohexene-1-phosphonate 1616376-25-0 C20H39N4O5P 446.527 - 1
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反应信息
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作为反应物：描述：(3R,4R,5S)-4-acetamido-5-((tert-butoxycarbonyl)amino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylic acid 在 4-二甲氨基吡啶 、 三乙胺 、 S-(1-oxido-2-pyridyl)-thio-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三氯溴甲烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.17h， 以66%的产率得到(3R,4R,5S)-4-acetamido-5-[(tert-butoxycarbonyl)-amino]-3-(1-ethylpropoxy)-1-bromocyclohexene参考文献：名称：替米磷与H1N1（2009）大流行性流感的神经氨酸酶结合的动力学，热力学和结构分析摘要：流感病毒会引起严重的呼吸道感染，每年导致全球多达100万人死