8-(2'-Methyl-1',3'-dioxolan-2'-yl)octansaeure | 4388-49-2

• 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: 8-(2'-Methyl-1',3'-dioxolan-2'-yl)octansaeure
• 英文别名: 8-(2-Methyl-1,3-dioxolan-2-YL)octanoic acid
• CAS: 4388-49-2
• 化学式: C₁₂H₂₂O₄
• 分子量: 230.304
• InChiKey: PXHXQPUZLMWAHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  349.3±17.0 °C(Predicted)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(2'-Methyl-1',3'-dioxolan-2'-yl)octansaeure 、 碘甲烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 生成 8-(2'-Methyl-1',3'-dioxolan-2'-yl)octansaeure-methylester
  参考文献：
  名称：

  Synthesen von ?-substituierten ?-Nitrocarbons�ureestern aus ?-Nitrocycloalkanonen

  摘要：

  Synthesis of ω‐Nitroalkanoates Substituted in ω‐Position from α‐Nitrocycloalkanonesα‐Nitrocycloalkanones substituted in α‐position by a functionalized alkyl residue underwent ring opening to the corresponding chain derivatives by intermolecular nucleophilic attack; ω‐nitroalkanoates substituted in ω‐position were obtained (Scheme 1). The so formed methyl 6‐nitro‐9‐oxodecanoate (3) was used to prepare methyl 8‐(2‐methyl‐1,3‐dioxolan‐2‐yl)octanoate (15), an intermediate in the synthesis of the sex phermone of the honey bee.

  DOI：

  10.1002/hlca.19830660519
• 作为产物：
  描述：

  6-硝基-9-氧代癸酸甲酯 在 氢氧化钾 、 potassium permanganate 、 Na₂B₂O₇ 、 lithium methanolate 、 对甲苯磺酸 、 一水合肼 、 原甲酸三甲酯 作用下， 以 二乙二醇 为溶剂， 反应 9.25h， 生成 8-(2'-Methyl-1',3'-dioxolan-2'-yl)octansaeure
  参考文献：
  名称：

  Synthesen von ?-substituierten ?-Nitrocarbons�ureestern aus ?-Nitrocycloalkanonen

  摘要：

  Synthesis of ω‐Nitroalkanoates Substituted in ω‐Position from α‐Nitrocycloalkanonesα‐Nitrocycloalkanones substituted in α‐position by a functionalized alkyl residue underwent ring opening to the corresponding chain derivatives by intermolecular nucleophilic attack; ω‐nitroalkanoates substituted in ω‐position were obtained (Scheme 1). The so formed methyl 6‐nitro‐9‐oxodecanoate (3) was used to prepare methyl 8‐(2‐methyl‐1,3‐dioxolan‐2‐yl)octanoate (15), an intermediate in the synthesis of the sex phermone of the honey bee.

  DOI：

  10.1002/hlca.19830660519

文献信息

• Synthesen von ?-substituierten ?-Nitrocarbons�ureestern aus ?-Nitrocycloalkanonen
  作者：Walter Huggenberg、Manfred Hesse

  DOI：10.1002/hlca.19830660519

  日期：1983.7.27

  Synthesis of ω‐Nitroalkanoates Substituted in ω‐Position from α‐Nitrocycloalkanonesα‐Nitrocycloalkanones substituted in α‐position by a functionalized alkyl residue underwent ring opening to the corresponding chain derivatives by intermolecular nucleophilic attack; ω‐nitroalkanoates substituted in ω‐position were obtained (Scheme 1). The so formed methyl 6‐nitro‐9‐oxodecanoate (3) was used to prepare methyl 8‐(2‐methyl‐1,3‐dioxolan‐2‐yl)octanoate (15), an intermediate in the synthesis of the sex phermone of the honey bee.