CAS: 116384-54-4; Ethyl Ester Of 9-(2-Phosphonylmethoxyethyl)Adenine

• 英文名称Ethyl Ester Of 9-(2-Phosphonylmethoxyethyl)Adenine
• 中文名称阿德福韦酯杂质E
• CAS编号116384-54-4
• 分子式:C10H16N5O4P分子量:301.24
• 产品CID: 208952
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

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• InChIKey: MRBIAWVMKIZTRX-UHFFFAOYNA-N
• 1S/C10H16N5O4P/c1-2-19-20(16,17)7-18-4-3-15-6-14-8-9(11)12-5-13-10(8)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H2,11,12,13)
• 计算化学: 氢键受体数8.0氢键供体数2.0可旋转键数7.0

物理性质

• 沸点552.3±60.0 °C(预测)
• 密度1.62±0.1 g/cm3(预测)
• pKa:2.56±0.10(预测)
• PSA:135.19
• LogP:1.1857
• 溶解性DMSO (Very Slightly, Heated), Methanol (Slightly, Sonicated), Water (Slightly)
• 外观形态白色固体

MSDS等安全信息

上下游产品

合成工艺路线路线简述

• 合成目标产物 Adefovir Dipivoxil Impurity E 主要起始原料 [[2-(6-Amino-9H-Purin-9-yl)Ethoxy]Methyl]Phosphonic Acid Diethyl Ester
• 116384-53-3 = 116384-54-4
  反应条件:1.1 Reagents: Sodium Hydroxide
  标题:Acyclic Nucleotide Analogs. Part Iii. Synthesis Of 9-(2-Phosphonylmethoxyethyl)Adenine And Related Compounds
  作者:Holy,Antonin; Rosenberg,Ivan
  参考文献:Collection Of Czechoslovak Chemical Communications 日期:1987 卷标:52(11) 页码:2801-9]
  
  116384-53-3 = 116384-54-4 [标题:Reaction Conditions
  标题:Preparation Of Dialkyl (2-Chloroethoxy)Methanephosphonates As Virucide Intermediates
  参考文献:Czechoslovakia]
  
  116384-53-3 = 116384-54-4
  反应条件:1.1 Reagents: Lithium Azide Solvents: Dimethylformamide
  标题:Simple Method For Cleavage Of Phosphonic Acid Diesters To Monoesters
  作者:Holy,Antonin
  参考文献:Synthesis 日期:1998 卷标:(4) 页码:381-385]
  
  116384-53-3 = 116384-54-4 [标题:Reaction Conditions
  标题:Product Class 15: Alkylphosphonic Acids And Derivatives
  作者:Drabowicz,J.; Kielbasinski,P.; Lyzwa,P.; Mikolajczyk,M.; Zajac,A.
  参考文献:Science Of Synthesis 日期:2009 卷标:42 页码:679-778

海关参考信息

• 2901100000-饱和无环烃
  2909199090-其他醚及其衍生物
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