[6-[Bis(diphenylphosphinothioyl)methylidene]-2,2-diphenyl-5,7-di(propan-2-yl)-1-thia-5,7-diaza-2lambda5-phospha-4-silaspiro[3.3]hept-2-en-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane | 1428256-93-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [6-[Bis(diphenylphosphinothioyl)methylidene]-2,2-diphenyl-5,7-di(propan-2-yl)-1-thia-5,7-diaza-2lambda5-phospha-4-silaspiro[3.3]hept-2-en-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane
• 英文别名: [6-[bis(diphenylphosphinothioyl)methylidene]-2,2-diphenyl-5,7-di(propan-2-yl)-1-thia-5,7-diaza-2λ5-phospha-4-silaspiro[3.3]hept-2-en-3-yl]-diphenyl-sulfanylidene-λ5-phosphane
• CAS: 1428256-93-2
• 化学式: C₅₇H₅₄N₂P₄S₄Si
• 分子量: 1047.31
• InChiKey: XOHHWBDPKFSYBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.23
• 重原子数：
  68
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (3-Diphenylphosphinothioyl-2,2,6,6-tetraphenyl-1,5-dithia-2lambda5,6lambda5-diphospha-4-silaspiro[3.3]hepta-2,6-dien-7-yl)-diphenyl-sulfanylidene-lambda5-phosphane 、 N,N'-二异丙基碳二亚胺 以 甲苯 为溶剂， 以23%的产率得到[6-[Bis(diphenylphosphinothioyl)methylidene]-2,2-diphenyl-5,7-di(propan-2-yl)-1-thia-5,7-diaza-2lambda5-phospha-4-silaspiro[3.3]hept-2-en-3-yl]-diphenyl-sulfanylidene-lambda5-phosphane
  参考文献：
  名称：

  A Base-Stabilized 2-Silaallene

  摘要：

  The reaction of [CH2(PPh2S)(2)] (1) with 2 equiv of MeLi in Et2O followed by addition of 0.5 equiv of SiCl4 afforded the base-stabilized 2-silaallene [(PPh2S)(2)CSiC(PPh2S)(2)] (2). It has been characterized by X-ray crystallography, NMR spectroscopy, and theoretical studies. The results show that compound 2 comprises a C--Si2+-C- ylidic skeleton with a negative charge at the Cmethanediide atoms and two positive charges at the Si atom. The reaction of 2 with excess PriN=C=NPrI in refluxing toluene gave the thiophosphinoyl-stabilized silene [(PPh2S)(2)C--Sr(NPri)(2)C=C(PPh2S)(2)] (3).

  DOI：

  10.1021/om301175p