methyl (E)-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-enoate | 1424712-86-6

• 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: methyl (E)-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-enoate
• CAS: 1424712-86-6
• 化学式: C₅₁H₉₀O₁₀
• 分子量: 863.27
• InChiKey: LPSRPSKJZYMRCK-OZNQKUEASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  61
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  methyl (E)-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-enoate 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 以96%的产率得到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：

  methyl (E)-5-(2,2,5-trimethyl-1,3-dioxan-5-yl)-2-[(E)-3-(2,2,5-trimethyl-1,3-dioxan-5-yl)prop-2-enyl]pent-4-enoate 在 吡啶 、 甲醇 、 lithium aluminium tetrahydride 、 草酰氯 、 偶氮二甲酸二异丙酯 、 palladium 10% on activated carbon 、 氢气 、 sodium 、 二异丁基氢化铝 、 potassium carbonate 、 二甲基亚砜 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 甲苯 为溶剂， -78.0~110.0 ℃ 、101.33 kPa 条件下， 反应 136.0h， 生成 methyl (E)-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-enoate
  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.