(E)-2-methoxycarbonyl-9-(2,2,5-trimethyl-1,3-dioxan-5-yl)-6-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]-2-[(E)-7-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]hept-2-enyl]non-4-enoic acid | 1424712-84-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (E)-2-methoxycarbonyl-9-(2,2,5-trimethyl-1,3-dioxan-5-yl)-6-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]-2-[(E)-7-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]hept-2-enyl]non-4-enoic acid
• CAS: 1424712-84-4
• 化学式: C₅₂H₉₀O₁₂
• 分子量: 907.279
• InChiKey: GESFJXCVJXKNGI-SIHVKLMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  64
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (E)-2-methoxycarbonyl-9-(2,2,5-trimethyl-1,3-dioxan-5-yl)-6-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]-2-[(E)-7-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]hept-2-enyl]non-4-enoic acid 在 吡啶 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 20.0~110.0 ℃ 、101.33 kPa 条件下， 反应 120.0h， 生成 Methyl 9-(2,2,5-trimethyl-1,3-dioxan-5-yl)-6-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]-2-[7-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]heptyl]nonanoate
  参考文献：
  名称：

  Versatile Synthesis of Amphiphilic Oligo(Aliphatic-Glycerol) Layer-Block Dendrons with Different Hydrophilic-Lipophilic Balance Values

  摘要：

  A series of amphiphilic oligo(glycerol-aliphatic) layer-blocked dendrons with different hydrophilic-lipophilic balance values (3.5-15.0) was prepared for use in controlled drug delivery and self-assembly studies. The synthetic strategies involved first a convergent growth of the inner hydrophobic sector followed by a divergent growth of the outer hydrophilic sector.

  DOI：

  10.1055/s-0032-1317929
• 作为产物：
  描述：

  5-(2,2,5-Trimethyl-1,3-dioxan-5-yl)-2-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]pentan-1-ol 在 甲醇 、 草酰氯 、 偶氮二甲酸二异丙酯 、 sodium 、 二异丁基氢化铝 、 二甲基亚砜 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 16.0h， 生成 (E)-2-methoxycarbonyl-9-(2,2,5-trimethyl-1,3-dioxan-5-yl)-6-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]-2-[(E)-7-(2,2,5-trimethyl-1,3-dioxan-5-yl)-4-[3-(2,2,5-trimethyl-1,3-dioxan-5-yl)propyl]hept-2-enyl]non-4-enoic acid
  参考文献：
  名称：

  Versatile Synthesis of Amphiphilic Oligo(Aliphatic-Glycerol) Layer-Block Dendrons with Different Hydrophilic-Lipophilic Balance Values

  摘要：

  A series of amphiphilic oligo(glycerol-aliphatic) layer-blocked dendrons with different hydrophilic-lipophilic balance values (3.5-15.0) was prepared for use in controlled drug delivery and self-assembly studies. The synthetic strategies involved first a convergent growth of the inner hydrophobic sector followed by a divergent growth of the outer hydrophilic sector.

  DOI：

  10.1055/s-0032-1317929

文献信息

• Versatile Synthesis of Amphiphilic Oligo(Aliphatic-Glycerol) Layer-Block Dendrons with Different Hydrophilic-Lipophilic Balance Values
  作者：Hak-Fun Chow、Lai-Sheung Choi

  DOI：10.1055/s-0032-1317929

  日期：——

  A series of amphiphilic oligo(glycerol-aliphatic) layer-blocked dendrons with different hydrophilic-lipophilic balance values (3.5-15.0) was prepared for use in controlled drug delivery and self-assembly studies. The synthetic strategies involved first a convergent growth of the inner hydrophobic sector followed by a divergent growth of the outer hydrophilic sector.