3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propylamine | 350685-12-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propylamine
• CAS: 350685-12-0
• 化学式: C₃₉H₇₇NO₆
• 分子量: 656.043
• InChiKey: XWBCKRGQODNKQM-PQRPKFJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.39
• 重原子数：
  46.0
• 可旋转键数：
  37.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  81.4
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  O-甲基异脲 半硫酸盐 、 3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propylamine 在 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 以75%的产率得到N-[3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propyl]-guanidine sulfate
  参考文献：
  名称：

  Synthesis of New Cationic Lipids from an Unsaturated Glycoside Scaffold

  摘要：

  [GRAPHICS]We report the synthesis of new cationic lipids. These amphiphiles present a hydrophobic domain connected to a guanidinium entity by an unsaturated glycoside scaffold. The synthetic strategy using amide or acetal linkage led to various mono- and bicatenar derivatives. Investigation of their physicochemical properties indicated that these new compounds compact DNA.

  DOI：

  10.1021/ol0159423
• 作为产物：
  描述：

  2,2,2-trifluoro-N-[3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propyl]-acetamide 在 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 3-(5-(tetradecyloxymethoxy)-6-(tetradecyloxymethoxymethyl)-5,6-dihydro-2H-pyran-2-yloxy)-propylamine
  参考文献：
  名称：

  Synthesis of New Cationic Lipids from an Unsaturated Glycoside Scaffold

  摘要：

  [GRAPHICS]We report the synthesis of new cationic lipids. These amphiphiles present a hydrophobic domain connected to a guanidinium entity by an unsaturated glycoside scaffold. The synthetic strategy using amide or acetal linkage led to various mono- and bicatenar derivatives. Investigation of their physicochemical properties indicated that these new compounds compact DNA.

  DOI：

  10.1021/ol0159423