2,2-di-n-butyl-6-aza-1,3-dioxa-15-methyl-2-stanna-[d,h]dibenzocyclononene | 800381-30-0

• 英文名称: 2,2-di-n-butyl-6-aza-1,3-dioxa-15-methyl-2-stanna-[d,h]dibenzocyclononene
• CAS: 800381-30-0
• 化学式: C₄₄H₅₈N₂O₄Sn₂
• 分子量: 916.376
• InChiKey: ZXYSDVVAERGXGD-AMZJESCPSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• 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

• 作为反应物：
  描述：

  氘代二甲亚砜 、 2,2-di-n-butyl-6-aza-1,3-dioxa-15-methyl-2-stanna-[d,h]dibenzocyclononene 以 氘代二甲亚砜 为溶剂， 生成
  参考文献：
  名称：

  Preference of di-n-butyltinIV compounds to build O⋯Sn bonds in fused rings with five-six members

  摘要：

  The reaction of salicylaldehyde (1), o-aminophenols (2a-2f), and di-n-butyltin(IV) oxide (3) to give six di-n-butyltin(IV) compounds (4a-4f) was achieved in good yields. All compounds were characterized by H-1, C-13, N-15, Sn-119 NMR, mass spectrometry, IR, elemental analysis and in the case of compounds 4a, 4b, 4d and 4e by X-ray diffraction analysis. Compound 4a crystallized with trigonal bipiramidal (TPB) geometry surrounding the tin atom while 4b and 4e crystallized as dimeric molecules joined by two (OSn)-Sn-... bonds with distorted octahedron (DOC) geometry. The X-ray structure of 4d presents one cocrystallized monomeric TBP with one dimeric DOC molecule. Correlations of sigma(Hammett) vs. spectroscopic values were found for 4a-4b and 4d-4f, indicating the substituents in the aromatic ring derived from o-aminophenol serve as modulators of the (OSn)-Sn-... supramolecular interaction. The (OSn)-Sn-... bond formation is selective for the five-membered ring oxygen atom. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.053
• 作为产物：
  描述：

  二正丁基氧化锡 、 水杨醛 、 邻氨基对甲苯酚 以 乙醇 、 苯 为溶剂， 以90%的产率得到2,2-di-n-butyl-6-aza-1,3-dioxa-15-methyl-2-stanna-[d,h]dibenzocyclononene
  参考文献：
  名称：

  Preference of di-n-butyltinIV compounds to build O⋯Sn bonds in fused rings with five-six members

  摘要：

  The reaction of salicylaldehyde (1), o-aminophenols (2a-2f), and di-n-butyltin(IV) oxide (3) to give six di-n-butyltin(IV) compounds (4a-4f) was achieved in good yields. All compounds were characterized by H-1, C-13, N-15, Sn-119 NMR, mass spectrometry, IR, elemental analysis and in the case of compounds 4a, 4b, 4d and 4e by X-ray diffraction analysis. Compound 4a crystallized with trigonal bipiramidal (TPB) geometry surrounding the tin atom while 4b and 4e crystallized as dimeric molecules joined by two (OSn)-Sn-... bonds with distorted octahedron (DOC) geometry. The X-ray structure of 4d presents one cocrystallized monomeric TBP with one dimeric DOC molecule. Correlations of sigma(Hammett) vs. spectroscopic values were found for 4a-4b and 4d-4f, indicating the substituents in the aromatic ring derived from o-aminophenol serve as modulators of the (OSn)-Sn-... supramolecular interaction. The (OSn)-Sn-... bond formation is selective for the five-membered ring oxygen atom. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.053