2,2,7,7,12,12,17,17,22,22-Decamethyl-26,27,28,29,30-pentaoxahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene | 61093-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2,2,7,7,12,12,17,17,22,22-Decamethyl-26,27,28,29,30-pentaoxahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
• CAS: 61093-56-9
• 化学式: C₃₅H₄₀O₅
• 分子量: 540.7
• InChiKey: OECTYHRUFIAYOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  40
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  65.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,7,7,12,12,17,17,22,22-Decamethyl-26,27,28,29,30-pentaoxahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 以56%的产率得到(4Z,9Z,14Z,19Z,24Z)-2,2,7,7,12,12,17,17,22,22-Decamethyl-cyclopentacosa-4,9,14,19,24-pentaene-1,3,6,8,11,13,16,18,21,23-decaone
  参考文献：
  名称：

  The Elusive β-Unsubstituted Calix[5]pyrrole Finally Captured

  摘要：

  [GRAPHICS]The meso-decamethyl-calix[5]pyrrole 2b was synthesized from the furan-based analogue 1b via the homologation of the furan rings to pyrrole, and its solid-state structure was determined by X-ray crystallography: surprisingly, the binding constant of 2b toward chloride is found to be lower than that of the tetrameric analogue 2a.

  DOI：

  10.1021/ol0262082
• 作为产物：
  描述：

  2,2-二(2-呋喃基)丙烷 在 盐酸 、 正丁基锂 、 四氯化钛 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 苯 为溶剂， 反应 83.5h， 生成 2,2,7,7,12,12,17,17,22,22-Decamethyl-26,27,28,29,30-pentaoxahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene
  参考文献：
  名称：

  A rational approach to calix[n]furan precursors

  摘要：

  标题化合物的几种形式Cn可以通过线性前体的环化与丙酮和盐酸反应制得。已开发出一种两步法合成这些线性前体Ln（n = 4–9），从而可能合成标题化合物，包括：（i）从锂杂呋喃和三级酰胺合成相应的单或双酮；（ii）使用四氯化钛和二甲基锌对酮基进行顺二甲基化。

  DOI：

  10.1039/b108402j

文献信息

• A rational approach to calix[n]furan precursors
  作者：Beneteau, Valerie、Meth-Cohn, Otto、Rees, Charles W.

  DOI：10.1039/b108402j

  日期：2001.12.11

  Several of the title compounds Cn are known to be available by cyclisation of the linear precursors with acetone and hydrochloric acid. A two-step synthesis of these linear precursors, Ln, with n = 4–9, and thus potentially of the title compounds, has been developed involving: (i) synthesis of the corresponding mono- or di-ketones from lithiofurans and tertiary amides; and (ii) gem-dimethylation at the keto group(s) using titanium tetrachloride and dimethylzinc.

  标题化合物的几种形式Cn可以通过线性前体的环化与丙酮和盐酸反应制得。已开发出一种两步法合成这些线性前体Ln（n = 4–9），从而可能合成标题化合物，包括：（i）从锂杂呋喃和三级酰胺合成相应的单或双酮；（ii）使用四氯化钛和二甲基锌对酮基进行顺二甲基化。
• The Elusive β-Unsubstituted Calix[5]pyrrole Finally Captured
  作者：Grazia Cafeo、Franz H. Kohnke、Melchiorre F. Parisi、Rosetta Pistone Nascone、Giovanna L. La Torre、David J. Williams

  DOI：10.1021/ol0262082

  日期：2002.8.1

  [GRAPHICS]The meso-decamethyl-calix[5]pyrrole 2b was synthesized from the furan-based analogue 1b via the homologation of the furan rings to pyrrole, and its solid-state structure was determined by X-ray crystallography: surprisingly, the binding constant of 2b toward chloride is found to be lower than that of the tetrameric analogue 2a.