Trimethyl-[9,20,22,33,35-pentakis(trimethylsilyl)-8,8,21,21,34,34-hexakis(trimethylsilylsulfanyl)-8,21,34-trigermadecacyclo[35.2.2.22,5.211,14.215,18.224,27.228,31.06,10.019,23.032,36]henpentaconta-1(39),2(51),3,5(50),6,9,11(49),12,14(48),15(47),16,18(46),19,22,24,26,28,30,32,35,37,40,42,44-tetracosaen-7-yl]silane | 566907-70-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: Trimethyl-[9,20,22,33,35-pentakis(trimethylsilyl)-8,8,21,21,34,34-hexakis(trimethylsilylsulfanyl)-8,21,34-trigermadecacyclo[35.2.2.22,5.211,14.215,18.224,27.228,31.06,10.019,23.032,36]henpentaconta-1(39),2(51),3,5(50),6,9,11(49),12,14(48),15(47),16,18(46),19,22,24,26,28,30,32,35,37,40,42,44-tetracosaen-7-yl]silane
• 英文别名: trimethyl-[9,20,22,33,35-pentakis(trimethylsilyl)-8,8,21,21,34,34-hexakis(trimethylsilylsulfanyl)-8,21,34-trigermadecacyclo[35.2.2.22,5.211,14.215,18.224,27.228,31.06,10.019,23.032,36]henpentaconta-1(39),2(51),3,5(50),6,9,11(49),12,14(48),15(47),16,18(46),19,22,24,26,28,30,32,35,37,40,42,44-tetracosaen-7-yl]silane
• CAS: 566907-70-8
• 化学式: C₈₄H₁₃₂Ge₃S₆Si₁₂
• 分子量: 1889.16
• InChiKey: BJPCMPCWQRGJKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.16
• 重原子数：
  105
• 可旋转键数：
  18
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  双(三甲基硫化硅) 、 [8,8,21,21,34,34-Hexachloro-9,20,22,33,35-pentakis(trimethylsilyl)-8,21,34-trigermadecacyclo[35.2.2.22,5.211,14.215,18.224,27.228,31.06,10.019,23.032,36]henpentaconta-1(39),2(51),3,5(50),6,9,11(49),12,14(48),15(47),16,18(46),19,22,24,26,28,30,32,35,37,40,42,44-tetracosaen-7-yl]-trimethylsilane 以 甲苯 为溶剂， 以87%的产率得到Trimethyl-[9,20,22,33,35-pentakis(trimethylsilyl)-8,8,21,21,34,34-hexakis(trimethylsilylsulfanyl)-8,21,34-trigermadecacyclo[35.2.2.22,5.211,14.215,18.224,27.228,31.06,10.019,23.032,36]henpentaconta-1(39),2(51),3,5(50),6,9,11(49),12,14(48),15(47),16,18(46),19,22,24,26,28,30,32,35,37,40,42,44-tetracosaen-7-yl]silane
  参考文献：
  名称：

  Convenient, zirconocene-coupling routes to germole- and thiophene-containing macrocycles with triangular geometries

  摘要：

  Reactions of zirconacyclo pentadiene-coupled macrocycles with S2Cl2 or GeCl4 gave new macrocycles containing thiophene and dichlorogermole groups, respectively. The germoles, synthesized in high yields, possess labile chloride substituents that are readily displaced via nucleophilic substitution reactions. These germole-containing macrocycles are potentially useful as supramolecular building blocks. A macrocyclic trithiophene compound, with 1,4-phenylene groups that bridge the thiophene rings, was characterized by X-ray crystallography. The X-ray structure of a related trigermole macrocycle, with bridging biphenylene groups, is also presented. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)02028-4

文献信息

• Convenient, zirconocene-coupling routes to germole- and thiophene-containing macrocycles with triangular geometries
  作者：Jonathan R Nitschke、T Don Tilley

  DOI：10.1016/s0022-328x(02)02028-4

  日期：2003.1

  Reactions of zirconacyclo pentadiene-coupled macrocycles with S2Cl2 or GeCl4 gave new macrocycles containing thiophene and dichlorogermole groups, respectively. The germoles, synthesized in high yields, possess labile chloride substituents that are readily displaced via nucleophilic substitution reactions. These germole-containing macrocycles are potentially useful as supramolecular building blocks. A macrocyclic trithiophene compound, with 1,4-phenylene groups that bridge the thiophene rings, was characterized by X-ray crystallography. The X-ray structure of a related trigermole macrocycle, with bridging biphenylene groups, is also presented. (C) 2002 Elsevier Science B.V. All rights reserved.