1-(N,N-dimethyl-2,2-diphenylaminoethanolato)-2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethylstannatricyclo[3.3.3.0(1.5)]undecane | 1353567-06-2

• 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: 1-(N,N-dimethyl-2,2-diphenylaminoethanolato)-2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethylstannatricyclo[3.3.3.0(1.5)]undecane
• CAS: 1353567-06-2
• 化学式: C₂₈H₄₂N₂O₄Sn
• 分子量: 589.362
• InChiKey: VQAGALYBPPSUKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-dimethylamino-1,1-diphenylethanol 、 1-tert-butoxido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-tetramethyl-1-stannatricyclo[3.3.3.0^1,5]undecan) 以 甲苯 为溶剂， 以95%的产率得到1-(N,N-dimethyl-2,2-diphenylaminoethanolato)-2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethylstannatricyclo[3.3.3.0(1.5)]undecane
  参考文献：
  名称：

  Novel Stannatranes of the Type N(CH₂CMe₂O)₃SnX (X = OR, SR, OC(O)R, SP(S)Ph₂, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties

  摘要：

  The syntheses of the stannatrane derivatives of the type N(CH2CMe2O)(3)SnX (1, X = Ot-Bu; 2, X = Oi-Pr; 3, X = 2,6-Me2C6H3O; 4, X = p-t-BuC6H4O; 5, X = p-NO2C6H4O; 6, X = p-FC6H4O; 7, X = p-PPh2C6H4O; 8, X = p-MeC6H4S; 9, X = o-NH2C6H4O; 10, X = OCPh2CH2NMe2; 11, X = Ph2P(S)S; 12, X = p-t-BuC6H4C(O)O; 13, X = Cl; 14, X = Br; 15, X = I; 16, X = p-N(CH2CMe2O)(3)SnOSiMe2C6H4SiMe2O) are reported. The compounds are characterized by X-ray diffraction analyses (3-8, 11-16), multinuclear NMR spectroscopy, C-13 CP MAS (14) and Sn-119 CP MAS NMR (13, 14) spectroscopy, mass spectrometry and osmometric molecular weight determination (13). Electrochemical measurements show that anodic oxidation of the stannatranes 4 and 8 occurs via electrochemically reversible electron transfer resulting in the corresponding cation radicals. The latter were detected by cyclic voltammetry (CV) and real-time electron paramagnetic resonance spectroscopy (EPR). DFT calculations were performed to compare the stannatranes 4, 8, and 13 with the corresponding cation radicals 4(+center dot), 8(+center dot), and 13(+center dot), respectively.

  DOI：

  10.1021/ic202179e