1,3-Dimethyl-1,3-diphenyl-cyclo-di(silthian) | 20836-54-8

• 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: 1,3-Dimethyl-1,3-diphenyl-cyclo-di(silthian)
• 英文别名: 2,4-Dimethyl-2,4-diphenyl-1,3,2,4-dithiadisiletane
• CAS: 20836-54-8
• 化学式: C₁₄H₁₆S₂Si₂
• 分子量: 304.584
• InChiKey: JVHAXJOTQPQLRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基苯基二氯硅烷 在 三乙基硼氢化锂 、 sulfur 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以8%的产率得到1,3-Dimethyl-1,3-diphenyl-cyclo-di(silthian)
  参考文献：
  名称：

  Dimeric and trimeric diorganosilicon chalcogenides (PhRSiE)2,3 (E=S, Se, Te; R=Ph, Me)

  摘要：

  Ph2SiCl2 and PhMeSiCl2 react with Li2E (E = S, Se, Te) under formation of trimeric diorganosilicon chalcogenides (PhRSiE)(3) (R = Ph: 1a-3a, R = Me: cis/trans-4a (E = S), cis/trans-5a (E = Se)). In case of E = S. Se dimeric four-membered ring compounds (PhRSiE)(2) (R = Ph: 1b-2b, R = Me: cis/trans-4b (E = S), cis/trans-5b (E = Se)) have been observed as by-products. 1a-5b have been characterized by multinuclear NMR spectroscopy. (H-1, C-13, Si-29, Se-77, Te-125). Four- and six-membered ring compounds differ significantly in Si-29 and Se-77 chemical shifts as well as in the value of (1)J(SiSe).The molecular structures of 2a, 3a and trans-5a reported in this paper are the first examples of compounds with unfused six-membered rings Si3E3 (E = Se, Te). The Si3E3 rings adopt twisted boat conformations. The crystal structure of 3a reveals an intermolecular Te-Te contact of 3.858 A which yields a dimerization in the solid state. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.068