2,2,7,7,12,12,17,17-Octamethyl-cycloicosan-1,3,6,8,11,13,16,18-octaone | 78804-53-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,7,7,12,12,17,17-Octamethyl-cycloicosan-1,3,6,8,11,13,16,18-octaone
• 英文别名: 2,2,7,7,12,12,17,17-Octamethyl-1,3,6,8,11,13,16,18-cycloicosaneoctone；2,2,7,7,12,12,17,17-octamethylcycloicosane-1,3,6,8,11,13,16,18-octone
• CAS: 78804-53-2
• 化学式: C₂₈H₄₀O₈
• 分子量: 504.621
• InChiKey: GRHMHYHGQHYGMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,2,7,7,12,12,17,17-Octamethyl-cycloicosan-1,3,6,8,11,13,16,18-octaone 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以35%的产率得到25,25,26,26,27,27,28,28-Octamethyl-5,6,11,12,17,18,23,24-octazapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene
  参考文献：
  名称：

  From calixfurans to heterocyclophanes containing isopyrazole units

  摘要：

  Cyclic poly-1,4-diketones 2, obtained by the oxidation of the furan units present in calix[4]furan 1a and calix[6]furan 1c have been converted into the novel heterocyclophanes 4a and 4c containing four and six isopyrazole units, respectively. Solution studies have demonstrated the ability,of 4a and 4c to act as ligands for transition metals. The crystal structures of 4a and the coordination compound formed by 4c with 2 equiv. of CiS-PtCl2(DMSO)(2) have been determined. In the solid state 4c is shown to bind aromatic substrates within its cavity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.028
• 作为产物：
  描述：

  (4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-Octamethyl-cycloicosa-4,9,14,19-tetraen-1,3,6,8,11,13,16,18-octaone 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、344.73 kPa 条件下， 反应 3.0h， 生成 2,2,7,7,12,12,17,17-Octamethyl-cycloicosan-1,3,6,8,11,13,16,18-octaone
  参考文献：
  名称：

  Enedione-functionalized macrocycles via oxidative ring opening of furans

  摘要：

  DOI：

  10.1021/jo00334a007

文献信息

• WILLIAMS, P. D.;LEGOFF, E., J. ORG. CHEM., 1981, 46, N 21, 4143-4147
  作者：WILLIAMS, P. D.、LEGOFF, E.

  DOI：——

  日期：——
• Enedione-functionalized macrocycles via oxidative ring opening of furans
  作者：Peter D. Williams、Eugene LeGoff

  DOI：10.1021/jo00334a007

  日期：1981.10
• From calixfurans to heterocyclophanes containing isopyrazole units
  作者：Grazia Cafeo、Domenico Garozzo、Franz H Kohnke、Sebastiano Pappalardo、Melchiorre F Parisi、Rosetta Pistone Nascone、David J Williams

  DOI：10.1016/j.tet.2003.12.028

  日期：2004.2

  Cyclic poly-1,4-diketones 2, obtained by the oxidation of the furan units present in calix[4]furan 1a and calix[6]furan 1c have been converted into the novel heterocyclophanes 4a and 4c containing four and six isopyrazole units, respectively. Solution studies have demonstrated the ability,of 4a and 4c to act as ligands for transition metals. The crystal structures of 4a and the coordination compound formed by 4c with 2 equiv. of CiS-PtCl2(DMSO)(2) have been determined. In the solid state 4c is shown to bind aromatic substrates within its cavity. (C) 2003 Elsevier Ltd. All rights reserved.