(Z)-pent-2-enyl 2,2,3,3,5,5,6,6,7,7,8,8-dodecamethyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane-1-carboxylate

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: (Z)-pent-2-enyl 2,2,3,3,5,5,6,6,7,7,8,8-dodecamethyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane-1-carboxylate
• 英文别名: [(Z)-pent-2-enyl] 2,2,3,3,5,5,6,6,7,7,8,8-dodecamethyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane-1-carboxylate
• 化学式: C₂₀H₄₆O₂Si₆
• 分子量: 487.097
• InChiKey: OYZQNRMDEUTVGO-NXVVXOECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2,3,3,5,5,6,6,7,7,8,8-dodecamethyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane 在 正丁基锂 、 偶氮二甲酸二异丙酯 、 potassium tert-butylate 、 三苯基膦 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 生成 (Z)-pent-2-enyl 2,2,3,3,5,5,6,6,7,7,8,8-dodecamethyl-2,3,5,6,7,8-hexasilabicyclo[2.2.2]octane-1-carboxylate
  参考文献：
  名称：

  2,3,5,6,7,8-Hexasilabicyclo[2.2.2]octane-1-carboxylic acids and esters: preparation and structure

  摘要：

  Polysilacage acid HC(SiMe2SiMe2)(3)CCO2H was prepared quantitatively by deprotonation of HC(SiMe2SiMe2)(3)CH by a superbase in excess followed by trapping with CO2. The acid allowed to disclose X-ray analysis of hydrogen-bonded dimers that preferred pairs of the same enantiomeric isomers. Cage diacid HO2CC(SiMe2SiMe2)(3)CCO2H also was prepared. Esterification of the acids was found to proceed in good yields via the Mitsunobu conditions using diisopropyl azodicarboxylate. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00161-x

文献信息

• 2,3,5,6,7,8-Hexasilabicyclo[2.2.2]octane-1-carboxylic acids and esters: preparation and structure
  作者：Masaki Shimizu、Susumu Sugimoto、Hirofumi Mizukoshi、Tamejiro Hiyama

  DOI：10.1016/s0022-328x(03)00161-x

  日期：2003.11

  Polysilacage acid HC(SiMe2SiMe2)(3)CCO2H was prepared quantitatively by deprotonation of HC(SiMe2SiMe2)(3)CH by a superbase in excess followed by trapping with CO2. The acid allowed to disclose X-ray analysis of hydrogen-bonded dimers that preferred pairs of the same enantiomeric isomers. Cage diacid HO2CC(SiMe2SiMe2)(3)CCO2H also was prepared. Esterification of the acids was found to proceed in good yields via the Mitsunobu conditions using diisopropyl azodicarboxylate. (C) 2003 Elsevier Science B.V. All rights reserved.