4,4,24,24-Tetratert-butyl-12,16,32,36-tetraoxa-4,24-disilapentacyclo[36.2.2.27,10.218,21.227,30]octatetraconta-1(41),7,9,18,20,27(44),28,30(43),38(42),39,45,47-dodecaen-2,5,22,25-tetrayne-13,15,33,35-tetrone | 1435484-03-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4,4,24,24-Tetratert-butyl-12,16,32,36-tetraoxa-4,24-disilapentacyclo[36.2.2.27,10.218,21.227,30]octatetraconta-1(41),7,9,18,20,27(44),28,30(43),38(42),39,45,47-dodecaen-2,5,22,25-tetrayne-13,15,33,35-tetrone
• CAS: 1435484-03-9
• 化学式: C₅₈H₆₄O₈Si₂
• 分子量: 945.312
• InChiKey: MHVYNMBWDNSFSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.41
• 重原子数：
  68
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,4,24,24-Tetratert-butyl-12,16,32,36-tetraoxa-4,24-disilapentacyclo[36.2.2.27,10.218,21.227,30]octatetraconta-1(41),7,9,18,20,27(44),28,30(43),38(42),39,45,47-dodecaen-2,5,22,25-tetrayne-13,15,33,35-tetrone 、 足球烯 在 碘 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 1.0h， 以8%的产率得到
  参考文献：
  名称：

  A rigid macrocyclic bis-malonate for the regioselective preparation of trans-1 and trans-3 fullerene bis-adducts

  摘要：

  A macrocyclic bis-malonate incorporating two rigid di(phenylethynyl)silane moieties has been prepared and used to functionalize C-60 in a double Bingel cyclopropanation. Two regioisomeric bis-adducts have been thus obtained, namely the trans-1 and trans-3 isomers. The formation of these specific isomers is favored by both the size of the starting macrocycle and the minimum of strain in the final products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.024
• 作为产物：
  描述：

  2-[(4-ethynylbenzyl)oxy]tetrahydro-2H-pyran 在 4-二甲氨基吡啶 、 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 4,4,24,24-Tetratert-butyl-12,16,32,36-tetraoxa-4,24-disilapentacyclo[36.2.2.27,10.218,21.227,30]octatetraconta-1(41),7,9,18,20,27(44),28,30(43),38(42),39,45,47-dodecaen-2,5,22,25-tetrayne-13,15,33,35-tetrone
  参考文献：
  名称：

  A rigid macrocyclic bis-malonate for the regioselective preparation of trans-1 and trans-3 fullerene bis-adducts

  摘要：

  A macrocyclic bis-malonate incorporating two rigid di(phenylethynyl)silane moieties has been prepared and used to functionalize C-60 in a double Bingel cyclopropanation. Two regioisomeric bis-adducts have been thus obtained, namely the trans-1 and trans-3 isomers. The formation of these specific isomers is favored by both the size of the starting macrocycle and the minimum of strain in the final products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.04.024