2,2-Dimethyl-5,5-bis[7-methyl-4-(3-methylbutyl)octyl]-1,3-dioxane-4,6-dione | 877590-99-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Dimethyl-5,5-bis[7-methyl-4-(3-methylbutyl)octyl]-1,3-dioxane-4,6-dione
• 英文别名: 2,2-dimethyl-5,5-bis[7-methyl-4-(3-methylbutyl)octyl]-1,3-dioxane-4,6-dione
• CAS: 877590-99-3
• 化学式: C₃₄H₆₄O₄
• 分子量: 536.88
• InChiKey: RFUFGHLPKGLQBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  38
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-5,5-bis[7-methyl-4-(3-methylbutyl)octyl]-1,3-dioxane-4,6-dione 在 吡啶 、 氢氧化钾 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 58.0h， 生成 9-Methyl-6-(3-methylbutyl)-2-[7-methyl-4-(3-methylbutyl)octyl]decanoic acid
  参考文献：
  名称：

  Synthesis of New Amphiphilic Dendrons Bearing Aliphatic Hydrocarbon Surface Sectors and a Monocarboxylic or Dicarboxylic Acid Focal Point

  摘要：

  [GRAPHICS]A new series of amphiphilic G1-G3 dendrons containing purely aliphatic hydrocarbon dendritic surface sectors and one or two carboxylic acid group(s) at the focal point was synthesized in good yields. The key branching steps involve diallylation reactions of diethyl malonate or Meldrum's acid. These dendrons are highly soluble in hexane despite having highly polar carboxylic acid groups at the focal point.

  DOI：

  10.1021/ol0526928
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、101.32 kPa 条件下， 反应 24.0h， 以95%的产率得到2,2-Dimethyl-5,5-bis[7-methyl-4-(3-methylbutyl)octyl]-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Synthesis of New Amphiphilic Dendrons Bearing Aliphatic Hydrocarbon Surface Sectors and a Monocarboxylic or Dicarboxylic Acid Focal Point

  摘要：

  [GRAPHICS]A new series of amphiphilic G1-G3 dendrons containing purely aliphatic hydrocarbon dendritic surface sectors and one or two carboxylic acid group(s) at the focal point was synthesized in good yields. The key branching steps involve diallylation reactions of diethyl malonate or Meldrum's acid. These dendrons are highly soluble in hexane despite having highly polar carboxylic acid groups at the focal point.

  DOI：

  10.1021/ol0526928

文献信息

• Dendronized Polymer Organogels from Click Chemistry: A Remarkable Gelation Property Owing to Synergistic Functional-Group Binding and Dendritic Size Effects
  作者：Kwun-Ngai Lau、Hak-Fun Chow、Man-Chor Chan、Ka-Wai Wong

  DOI：10.1002/anie.200801870

  日期：2008.8.25