1-<<1-(cyclobutylidene-cyclopropyl-methyl)cyclobutyl>-cyclopropylidene-methyl>-cyclobutane-carboxylic acid ethyl ester | 224824-14-0

• 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: 1-<<1-(cyclobutylidene-cyclopropyl-methyl)cyclobutyl>-cyclopropylidene-methyl>-cyclobutane-carboxylic acid ethyl ester
• 英文别名: ethyl 1-[[1-[cyclobutylidene(cyclopropyl)methyl]cyclobutyl]-cyclopropylidenemethyl]cyclobutane-1-carboxylate
• CAS: 224824-14-0
• 化学式: C₂₃H₃₂O₂
• 分子量: 340.506
• InChiKey: RKNYPKJGAVTCFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-<<1-(cyclobutylidene-cyclopropyl-methyl)cyclobutyl>-cyclopropylidene-methyl>-cyclobutane-carboxylic acid ethyl ester 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以68%的产率得到1-<2-<1-(2-cyclopropyl-1-oxa-spiro<2.3>hex-2-yl)-cyclobutyl>-1-oxa-spiro<2.2>pent-2-yl>-cyclobutanecarboxylic acid ethyl ester
  参考文献：
  名称：

  Towards acyclic 1,1-linked polycyclobutanes as potential precursors of polyspiranes with a helical primary structure: Synthesis of tercyclobutanes and attempted synthesis of quinquecyclobutanes

  摘要：

  Acyclic 1,1-linked polycyclobutanes 1 should be potentially prone to rearrange to polyspiranes with a helical primary structure. In an exploratory study, the synthesis of die tercyclobutanes 8 (5-6-7-8) and 15 (9-10-11-12-16-15 or 14-15), and several approaches to quinquecyclobutanes with the beta- and delta-ketoesters 35 (15-33-34-35) and 24b (23-24a-24b). respectively, as most promising precursors are described. (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4020(99)00098-8
• 作为产物：
  描述：

  10,15-Dicyclopropylidentrispiro<3.1.3.1.3.1>pentadecan-5-on 在 potassium tert-butylate 、 potassium carbonate 作用下， 以 水 、 二甲基亚砜 、 丙酮 为溶剂， 反应 20.0h， 生成 1-<<1-(cyclobutylidene-cyclopropyl-methyl)cyclobutyl>-cyclopropylidene-methyl>-cyclobutane-carboxylic acid ethyl ester
  参考文献：
  名称：

  Towards acyclic 1,1-linked polycyclobutanes as potential precursors of polyspiranes with a helical primary structure: Synthesis of tercyclobutanes and attempted synthesis of quinquecyclobutanes

  摘要：

  Acyclic 1,1-linked polycyclobutanes 1 should be potentially prone to rearrange to polyspiranes with a helical primary structure. In an exploratory study, the synthesis of die tercyclobutanes 8 (5-6-7-8) and 15 (9-10-11-12-16-15 or 14-15), and several approaches to quinquecyclobutanes with the beta- and delta-ketoesters 35 (15-33-34-35) and 24b (23-24a-24b). respectively, as most promising precursors are described. (C) 1999 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0040-4020(99)00098-8