tetrakis(N,N-diisopropylcarbamato-O,O')hafnium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tetrakis(N,N-diisopropylcarbamato-O,O')hafnium
• 英文别名: N,N-di(propan-2-yl)carbamate;hafnium(4+)
• 化学式: C₂₈H₅₆HfN₄O₈
• 分子量: 755.265
• InChiKey: DOAAGDMPMOGEBP-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  1.79
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  174
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  氯化铪 、 二异丙胺 在 CO₂ 作用下， 以 甲苯 为溶剂， 以55%的产率得到tetrakis(N,N-diisopropylcarbamato-O,O')hafnium
  参考文献：
  名称：

  Synthesis of N,N-dialkylcarbamato complexes of Group 4 metals (Ti, Zr, Hf) by the metal chloride–NHR₂–CO₂system (R = Et or Prⁱ): crystal and molecular structure of [Hf(O₂CNPrⁱ₂)₄]

  摘要：

  The compounds [M(O2CNR2)4] (M = Ti, Zr or Hf; R = Et or Pr) have been prepared by treating the corresponding metal tetrachloride with CO2-NHR2 in toluene. The structure of [Hf(O2CNPr2i)4] has been solved by X-ray diffraction methods. Crystal data: monoclinic, space group P2(1)/c, a = 12.756(3), b = 22.131(9), c = 14.548(5) angstrom, beta = 113.03(2)-degrees and Z = 4. It consists of monomeric units, the hafnium atom being surrounded by the eight oxygen atoms of the four N,N-diisopropylcarbamato groups in a slightly distorted dodecahedral arrangement. By reaction with anhydrous hydrogen halides HX (X = Cl, Br or l) the hexahalogenometalate(iv) anions, [MX6]2-, as the diethylammonium derivatives, have been obtained in high yields. The redox reaction between [Ti(O2CNEt2)4] and [V(eta-C5Me5)2] gives the titanium(III) and vanadium(III) complexes [{Ti(O2CNEt2)3}n] and [V(eta-C5Me5)2(O2CNEt2)], respectively.

  DOI：

  10.1039/dt9910000693