2-((5-(allyl(tert-butoxycarbonyl)amino)pentanoyl)oxy)-N-(2-(aminooxy)ethyl)-N,N-dimethylethan-1-aminium iodide | 1606141-71-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-((5-(allyl(tert-butoxycarbonyl)amino)pentanoyl)oxy)-N-(2-(aminooxy)ethyl)-N,N-dimethylethan-1-aminium iodide
• CAS: 1606141-71-2
• 化学式: C₁₉H₃₈N₃O₅*I
• 分子量: 515.432
• InChiKey: KWAZYYNCWRFCIY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.91
• 重原子数：
  28.0
• 可旋转键数：
  13.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  91.09
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  三乙氧基硅烷 、 2-((5-(allyl(tert-butoxycarbonyl)amino)pentanoyl)oxy)-N-(2-(aminooxy)ethyl)-N,N-dimethylethan-1-aminium iodide 在 platinum(IV) oxide 作用下， 反应 48.0h， 生成
  参考文献：
  名称：

  Thermally induced substrate release via intramolecular cyclizations of Amino esters and Amino carbonates

  摘要：

  The relative cleavage of an alcohol from a panel of amino esters and amino carbonates via intramolecular cyclization was examined as a mechanism for substrate release. Thermal stability at 37 degrees C was observed only for the seven-membered ring progenitors. Applicability of the approach was illustrated by delta-lactam formation within a poly(dimethylsiloxane) microchannel for release of a captured fluorescent probe. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.092
• 作为产物：
  描述：

  2-((5-(allyl(tert-butoxycarbonyl)amino)pentanoyl)oxy)-N-(2-((1,3-dioxoisoindolin-2-yl)oxy)ethyl)-N,N-dimethylethanaminium iodide 在 甲基肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 2-((5-(allyl(tert-butoxycarbonyl)amino)pentanoyl)oxy)-N-(2-(aminooxy)ethyl)-N,N-dimethylethan-1-aminium iodide
  参考文献：
  名称：

  Thermally induced substrate release via intramolecular cyclizations of Amino esters and Amino carbonates

  摘要：

  The relative cleavage of an alcohol from a panel of amino esters and amino carbonates via intramolecular cyclization was examined as a mechanism for substrate release. Thermal stability at 37 degrees C was observed only for the seven-membered ring progenitors. Applicability of the approach was illustrated by delta-lactam formation within a poly(dimethylsiloxane) microchannel for release of a captured fluorescent probe. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.03.092