tetrakis(N-tert-butylbenzenesulfenamido)zirconium(IV) | 176730-99-7

• 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: tetrakis(N-tert-butylbenzenesulfenamido)zirconium(IV)
• 英文别名: tert-butyl(phenylsulfanyl)azanide;zirconium(4+)
• CAS: 176730-99-7
• 化学式: C₄₀H₅₆N₄S₄Zr
• 分子量: 812.399
• InChiKey: HILLNHUFBCSIDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.46
• 重原子数：
  49
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ZrCl4(tetrahydrothiophene)2 、 Li(ButNSPh) 以 甲苯 为溶剂， 以48%的产率得到tetrakis(N-tert-butylbenzenesulfenamido)zirconium(IV)
  参考文献：
  名称：

  η²-Sulfenamido and -selenamido complexes of titanium, zirconium, molybdenum and tungsten

  摘要：

  The interaction of TiCl4 with LiN(Bu(t))SR (R = Ph or C(6)H(2)Me(3)-2,4,6) gave the sulfenamido complexes TiCl2(eta(2)-Bu(t)NSR)(2). Interaction of ZrCl4 with 3 equivalents of LiN(Bu(t))SPh produced ZrCl(eta(2)-Bu(t)NSPh)(3) while ZrCl4(tht)(2) (tht = tetrahydrothiophene) with 5 equivalents gave the homoleptic Zr(eta(2)-Bu(t)NSPh)(4). From ZrCl2(eta(5)-C5H5)(2) only ZrCl(eta(5)-C5H5)(2)(eta(2)-Bu(t)NSPh) 5 is obtained. Using as starting materials MO(2)Cl(2)(dme) (dme = 1,2-dimethoxyethane, M = Mo or W), MoCl2(NBu(t))(2) and WCl2(NBu(t))(2)(py)(2) (py = pyridine), interactions with LiNBu(t)SPh gave eta(2)-sulfenamido compounds such as MoO2(eta(2)-Bu(t)NSPh)(2). The selenium analogue of the tungsten compound, i.e. W(NBu(t))(2)(eta(2)-Bu(t)NSePh)(2) has been made by interaction of Li2W(NBu(t))(4) with PhSeBr. Where study was possible, NMR spectra over a temperature range indicate that invertomers and isomers occur. Six compounds have been structurally characterised by X-ray diffraction. In all cases the sulfenamido ligands are eta(2) bonded and the geometry about the N atoms is planar.

  DOI：

  10.1039/dt9960001309