Zn(tri-tert-butoxysilanethiolato)2(N-methylimidazole)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Zn(tri-tert-butoxysilanethiolato)2(N-methylimidazole)
• 英文别名: ZINC;1-methylimidazole;tris[(2-methylpropan-2-yl)oxy]-sulfidosilane
• 化学式: C₂₈H₆₀N₂O₆S₂Si₂Zn
• 分子量: 706.487
• InChiKey: ORAOAWDXZYGNIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.25
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-甲基咪唑 、 [(tri-tert-butoxysilanethiolato)(H2O)2Zn(μ-tri-tert-butoxysilanethiolato)Zn(acetylacetonato)(tri-tert-butoxysilanethiolato)] 以 乙腈 为溶剂， 生成 Zn(tri-tert-butoxysilanethiolato)2(N-methylimidazole)
  参考文献：
  名称：

  Formation, crystal and molecular structures of heteroleptic zinc(II) tri-tert-butoxysilanethiolates with ZnNO2S2 and ZnN2S2 coordination pattern

  摘要：

  Five zinc tri-tert-butoxysilanethiolates containing heterocyclic, aromatic bases coordinated to zinc ion were synthesized. All obtained complexes are monomeric with ZnS2NO2 or ZnS2N2 core and formula: Zn(SSi(OBu')(3))(2)L, where L is alpha-picoline (pic), 2,4-lutidine (lut) or N-methylimidazole (meim) or Zn(SSi(OBu')(3))(2)L-2 where L is pyridine (py) or N-methylimidazole. The complexes are formed in the two-stage synthesis. First zinc acetyloacetonate Zn(acac)2 reacts with tri-tert-butoxysilanethiol with the formation of [Zn{mu-SSi(OBu')(3)}(acac)](2) [1]. Subsequent addition of heterocycle leads to decomposition of [Zn{mu-SSi(OBu')(3)}(acac)](2) and complexes Zn(SSi(OBu')(3))(2)L or Zn(SSi(OBu')(3))(2)L-2 are formed. Crystal structure determinations of the obtained complexes reveal distorted tetrahedral (Zn(SSi(OBu')(3))(2)L-2) or bipyramidal (Zn(SSi(OBu')(3))(2)L) coordination of zinc atom. In the case of Zn(SSi(OBu')(3))(2)L the immediate environment of zinc atom consists of two thiolate sulfur atoms, aromatic nitrogen and two oxygen atoms from tert-butoxy groups of tri-tert-butoxysilanethiolate completing coordination sphere. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.06.005