[2,6-bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)*toluene | 1379595-70-6

• 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: [2,6-bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)*toluene
• 英文别名: [[4-t-Bu-2,6-[P(O)(Oi-Pr)2]2C6H2]Sn]2*C7H8
• CAS: 1379595-70-6
• 化学式: C₇H₈*C₄₄H₇₈O₁₂P₄Sn₂
• 分子量: 1252.55
• InChiKey: OPSMAGHNEDDWPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  [[2,6-bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl]tin(II) chloride 、 甲苯 在 sodium naphthalenide 作用下， 以 四氢呋喃 为溶剂， 生成 [2,6-bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)*toluene
  参考文献：
  名称：

  {4-t-Bu-2,6-[P(O)(O-i-Pr)₂]₂C₆H₂Sn}₂: An Intramolecularly Coordinated Organotin(I) Compound with a Sn–Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)₂

  摘要：

  Syntheses of the intramolecularly coordinated organotin(I) compound {4-t-Bu-2,6-[P(O)(O-i-Pr)(2)](2)C6H2Sn}(2) (2), which crystallized in two different pseudopolymorphs 2 and 2 center dot C7H8, of the diorganostannylene {4-t-Bu-2,6-[P(O)(O-i-Pr)(2)](2)C6H2}(2)Sn (3) and of the organotin(II) acetate 4-t-Bu-2,6-[P(O)(O-i-Pr)(2)](2)C6H2SnOAc (4) are reported. The compounds were characterized by multinuclear NMR, IR (3 and 4), UV-vis spectroscopy (2), electrospray ionization mass spectrometry (3 and 4), and single-crystal X-ray diffraction analyses. Density functional theory calculations on compound 2 revealed the stabilizing effect of the intramolecular P=O -> Sn coordination.

  DOI：

  10.1021/ic3005954