1-(<1,1';1',1''>tercyclobut-1-carbonyl)-cyclobutanecarboxylic acid tert-butyl ester | 224824-17-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 1-(<1,1';1',1''>tercyclobut-1-carbonyl)-cyclobutanecarboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 1-[1-(1-cyclobutylcyclobutyl)cyclobutanecarbonyl]cyclobutane-1-carboxylate
• CAS: 224824-17-3
• 化学式: C₂₂H₃₄O₃
• 分子量: 346.51
• InChiKey: KHWDGPZKQIMZFU-UHFFFAOYSA-N

物化性质

• 沸点：
  427.6±28.0 °C(predicted)
• 密度：
  1.151±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(<1,1';1',1''>tercyclobut-1-carbonyl)-cyclobutanecarboxylic acid tert-butyl ester 在 盐酸 作用下， 反应 8.0h， 以42%的产率得到cyclobutyl-<1,1';1',1''>tercyclobut-1-yl-methanone
  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：

  trispiro[3.0.3.0.3.1]tridecan-13-one 在 正丁基锂 、 氯化亚砜 、 potassium tert-butylate 、 水 、 二异丙胺 、 N,N-二甲基甲酰胺 作用下， 以 various solvent(s) 为溶剂， 反应 5.0h， 生成 1-(<1,1';1',1''>tercyclobut-1-carbonyl)-cyclobutanecarboxylic acid tert-butyl 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

文献信息

• Towards acyclic 1,1-linked polycyclobutanes as potential precursors of polyspiranes with a helical primary structure: Synthesis of tercyclobutanes and attempted synthesis of quinquecyclobutanes
  作者：Said Gaini-Rahimi、Christoph Steeneck、Imelda Meyer、Lutz Fitjer、Frank Pauer、Mathias Noltemeyer

  DOI：10.1016/s0040-4020(99)00098-8

  日期：1999.3

  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.