(4,7-dihydro-3a,7a-azaborindenyl)(pentamethylcyclopentadienyl)zirconium dichloride | 475987-27-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (4,7-dihydro-3a,7a-azaborindenyl)(pentamethylcyclopentadienyl)zirconium dichloride
• CAS: 475987-27-0
• 化学式: C₁₇H₂₄BCl₂NZr
• 分子量: 415.325
• InChiKey: IIVOIVOUIJWZRC-UHFFFAOYSA-L

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：

  pentamethylcyclopentadienylzirconium(IV) trichloride 、 4,7-dihydro-4a,7a-azaborindene 在 lithium diisoprpylamide 作用下， 以 not given 为溶剂， 以55%的产率得到(4,7-dihydro-3a,7a-azaborindenyl)(pentamethylcyclopentadienyl)zirconium dichloride
  参考文献：
  名称：

  Syntheses of Ring-Fused B−N Heteroaromatic Compounds

  摘要：

  3a,7a-Azaborindene (14) has been prepared by two multistep syntheses using the Grubbs ring-closing metathesis from appropriate B-vinyl,N-allyl-aminoboranes. 14 was deprotonated by KN(SiMe3)2 to give 3a,7a-azaborindenylpotassium (5). The reaction of 5 with Cp*ZrCl3 afforded the corresponding Zr(IV) complex 18, which on activation with excess methylaluminoxane, forms a good catalyst for the polymerization of ethylene. The reaction of 5 with methylene chloride and BuLi gave 4a,8a-azaboranaphthalene (6), which is isoelectronic and isostructural with naphthalene. DFT calculations on 6 gave a structure that is in good agreement with X-ray diffraction data.

  DOI：

  10.1021/om058048e

文献信息

• Synthesis and Coordination Chemistry of 3a,7a-Azaborindenyl, a New Isoelectronic Analogue of the Indenyl Ligand
  作者：Arthur J. Ashe、Hong Yang、Xiangdong Fang、Jeff W. Kampf

  DOI：10.1021/om0204944

  日期：2002.10.1

  The fused-ring diheteroaromatic 3a,7a-azaborindenyl anion (1) has been prepared by a synthesis using the Grubbs ring-closing metathesis. 1 has been converted to the Cp*ZrCl2 complex 2, which closely resembles the corresponding (Ind)Cp*ZrCl2.

  稠合环二杂芳族3a，7a-氮杂硼茚基阴离子（1）已经通过使用格鲁布斯闭环复分解法合成而制备。1已被转化为Cp * ZrCl 2络合物2，其与相应的（Ind）Cp * ZrCl 2极为相似。