1,1,4,4,7,7-hexamethyl-cyclononane | 149331-19-1

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 1,1,4,4,7,7-hexamethyl-cyclononane
• 英文别名: Cyclononane, 1,1,4,4,7,7-hexamethyl-；1,1,4,4,7,7-hexamethylcyclononane
• CAS: 149331-19-1
• 化学式: C₁₅H₃₀
• 分子量: 210.403
• InChiKey: JSKJGDDEIMGOKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  Tetracyclo[6.1.0.02,4.05,7]nonane, 3,3,6,6,9,9-hexamethyl- 在 platinum(IV) oxide 、 氢气 、 溶剂黄146 作用下， 反应 120.0h， 以48.7%的产率得到1,1,4,4,7,7-hexamethyl-cyclononane
  参考文献：
  名称：

  1,1,4,4,7,7-Hexamethylcyclononane: synthesis and crystal structure

  摘要：

  1,1,4,4,7,7-Hexamethylcyclononane (2) has been synthesised by PtO2-catalysed hydrogenation of tris-trans-homobenzene (1) at room temperature. 2 is a crystalline compound with m.p. 85-degrees-C whose structure has been determined by a crystal structure analysis. This reveals a twisted boat-chair conformation (TBC) of approximate D3 symmetry for 2 with the gem-dimethyl groups bonded to carbon atoms lying on one of the three C2 axes of that form. The same conformation for 2 is also found in solution at room temperature by inspection of its H-1 and C-13 NMR spectra.

  DOI：

  10.1039/p29930000633

文献信息

• 1,1,4,4,7,7-Hexamethylcyclononane: synthesis and crystal structure
  作者：Paul Binger、Hannelore Schäfer、Richard Goddard

  DOI：10.1039/p29930000633

  日期：——

  1,1,4,4,7,7-Hexamethylcyclononane (2) has been synthesised by PtO2-catalysed hydrogenation of tris-trans-homobenzene (1) at room temperature. 2 is a crystalline compound with m.p. 85-degrees-C whose structure has been determined by a crystal structure analysis. This reveals a twisted boat-chair conformation (TBC) of approximate D3 symmetry for 2 with the gem-dimethyl groups bonded to carbon atoms lying on one of the three C2 axes of that form. The same conformation for 2 is also found in solution at room temperature by inspection of its H-1 and C-13 NMR spectra.