2,2,8,8-tetrakis(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-5,16-diphenyl-7,9,14-trioxa-1,3,5,16,18,19-hexaaza-2,8-digerma-tricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione | 808764-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2,8,8-tetrakis(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-5,16-diphenyl-7,9,14-trioxa-1,3,5,16,18,19-hexaaza-2,8-digerma-tricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione
• 英文别名: 2,2,8,8-Tetrakis[bis(trimethylsilyl)amino]-5,16-diphenyl-7,9,14-trioxa-1,3,5,16,18,19-hexaza-2,8-digermatricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione；2,2,8,8-tetrakis[bis(trimethylsilyl)amino]-5,16-diphenyl-7,9,14-trioxa-1,3,5,16,18,19-hexaza-2,8-digermatricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione
• CAS: 808764-28-5
• 化学式: C₄₄H₉₀Ge₂N₁₀O₅Si₈
• 分子量: 1209.13
• InChiKey: KTUFIWJJKSWMEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  69
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  四氢呋喃 、 4-苯基-1,2,4-三唑啉-3,5-二酮 、 bis[bis(trimethylsilyl)amino]germanium(II) 以 四氢呋喃 为溶剂， 以77%的产率得到2,2,8,8-tetrakis(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-5,16-diphenyl-7,9,14-trioxa-1,3,5,16,18,19-hexaaza-2,8-digerma-tricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione
  参考文献：
  名称：

  Synthesis of a Digermane-Containing Tricylic Nonadecadienedione Incorporating an Equivalent of Ring-Opened THF

  摘要：

  The combination of 2 equiv of bis[bis(trimethylsilyl)amide]germylene (5) with 2 equiv of 4-phenyl-1,2,4-triazoline3,5-dione (PTAD) in tetrahydrofuran (THF) results in the ring-opening of 1 equiv of THF to form 2,2,8,8-tetrakis(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-5,16-diphenyl-7,9,14-trioxa-1,3,5,1 6,18,19-hexaaza-2,8-digerma-tricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione (6). This fast and nearly quantitative reaction builds a 15-membered ring from five different molecules. The new ring, structurally assigned by X-ray crystallography, contains a flexible methylene chain that moves rapidly on the NMR time scale.

  DOI：

  10.1021/ic0491027

文献信息

• Synthesis of a Digermane-Containing Tricylic Nonadecadienedione Incorporating an Equivalent of Ring-Opened THF
  作者：Amy C. Gottfried、Jia Wang、Erin E. Wilson、Larry W. Beck、Mark M. Banaszak Holl、Jeff W. Kampf

  DOI：10.1021/ic0491027

  日期：2004.11.1

  The combination of 2 equiv of bis[bis(trimethylsilyl)amide]germylene (5) with 2 equiv of 4-phenyl-1,2,4-triazoline3,5-dione (PTAD) in tetrahydrofuran (THF) results in the ring-opening of 1 equiv of THF to form 2,2,8,8-tetrakis(1,1,1,3,3,3-hexamethyl-disilazan-2-yl)-5,16-diphenyl-7,9,14-trioxa-1,3,5,1 6,18,19-hexaaza-2,8-digerma-tricyclo[13.2.1.13,6]nonadeca-6(19),15(18)-diene-4,17-dione (6). This fast and nearly quantitative reaction builds a 15-membered ring from five different molecules. The new ring, structurally assigned by X-ray crystallography, contains a flexible methylene chain that moves rapidly on the NMR time scale.