S(C6H3S)2OGePh2 | 1143503-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: S(C6H3S)2OGePh2
• CAS: 1143503-74-5
• 化学式: C₂₄H₁₆GeOS₃
• 分子量: 489.178
• InChiKey: MLCMSWKCNOQDNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,6-dimercaptophenoxathiin 、 二苯基二氯化锗 以 甲醇 为溶剂， 以42%的产率得到S(C6H3S)2OGePh2
  参考文献：
  名称：

  Hypervalence in germanium compounds containing the tetracylic moiety {S(C6H3S)2O}Ge via O···Ge transannular interactions: A structural study

  摘要：

  Treatment of RnGeCl4-n with {S(C6H3SH)(2)O} (1) afforded the stable phenoxathiin-4,6-dithiolate compounds [{S(C6H3S)(2)O}GeR2] [n = 2; R = Et (2), Ph (3)] and [{S(C6H3S)(2)O}GeRCl] [n = 1; R = Et (4), Ph (5)]. Treatment of GeCl4 with I in benzene afforded the dichloro compound [{S(C6H3S)(2)O}GeCl2] (8) at 7 degrees C. Bromo compounds [{S(C6H3S)(2)O}GeRBr] [R = Et (6), Ph (7)] and [{S(C6H3S)(2)O}GeBr2] (9) were synthesized by halogen exchange from the appropriate chloro derivative using KBr/HBr. X-ray structure determinations of diorganyl dithiolate compounds 2 and 3 revealed that germanium atom is contained in a boat-chair-shaped eight-membered central ring and displays a tetrahedral geometry. In contrast, compounds 4-6 display a boat-boat-shaped central ring with a significant intramolecular transannular O center dot center dot center dot Ge interaction. The geometry of the pentacoordinate Ge atom in these last complexes may be described as distorted trigonal bipyramidal with a 62-65% distortion displacement. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.12.007