| 433230-05-8

• CAS: 433230-05-8
• 化学式: C₁₄H₂₈Cl₃N₂NbO
• 分子量: 439.655
• InChiKey: SZMOKQLFJANUQY-OLTFPPTJSA-K

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

• 作为产物：
  描述：

  四氢呋喃 、 、 五氯化铌 以 四氢呋喃 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  1,4-Diaza-1,3-diene niobium chlorides: syntheses and X-ray crystal structures of (t-Bu-DAD)NbCl3(THF), (t-Bu-DAD)2NbCl, and [(t-Bu-DAD)NbCl4](H3Nt-Bu)

  摘要：

  The new 1.4-diaza-1.3-diene niobium complexes (t-Bu-DAD)NbCl3(THF) (2) and (t-Bu-DAD)NbCl (3) [t-Bu-DAD=(t-Bu)N=CHCH=N(t-Bu)] have been prepared in 75-82% isolated yields by replacing of two or four chlorine atoms of NbCl, by the sterically demanding t-Bu-DAD ligand. In addition, we also describe the ionic Nb(V) complex [(t-Bu-DAD)NbCl4](H(3)Nt-Bu) (6) which was formed as a byproduct during the preparation of 2. The new compounds have been characterized in solution by NMR measurements as well as by X-ray analyses in solid state. The structural parameters within the t-Bu-DAD ligand of 6 are in agreement with a chelating enediamido dianion. On the other hand the N-C and C-C bond distances of the t-Bu-DAD ligand of 2 are rather comparable to those found in complexes having a radical-anionic t-Bu-DAD ligand. The higher steric crowding at the niobium center caused by two 1,4-diaza-1,3-diene ligands in 3 leads to a significant asymmetric distortion of the 1,3-diaza-2-niobacyclopent-4-ene rings. However, none of the 1.4-diaza-1,3-diene ligands of 2, 3 or 6 is coordinated in the sterically less demanding eta2-C,N bonding mode as found in the binuclear complex (t-Bu-DAD)(5)Nb-2 (4). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00989-5