| 113132-34-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• CAS: 113132-34-6
• 化学式: C₂₀H₂₄Zr
• 分子量: 355.635
• InChiKey: LBMCQBMZFSOPHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  以53%的产率得到
  参考文献：
  名称：

  FAGAN, PAUL J.;NUGENT, WILLIAM A., J. AMER. CHEM. SOC., 110,(1988) N 7, 2310-2312

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯二茂锆 、 2,8-癸二炔 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of main group heterocycles by metallacycle transfer from zirconium

  摘要：

  DOI：

  10.1021/ja00215a057

文献信息

• Metallacycle Transfer from Zirconium to Main Group Elements: A Versatile Synthesis of Heterocycles
  作者：Paul J. Fagan、William A. Nugent、Joseph C. Calabrese

  DOI：10.1021/ja00084a031

  日期：1994.3

  The reaction of zirconium metallacycles is used to produce a variety of main group heterocycles including borole Diels-Alder dimers, galloles, indacyclopentadienes, siloles, germoles, stannoles, phospholes, arsoles, stiboles, bismoles, thiophenes, selenophenes, dihydrothiophenes, dihydroselenophenes, tetrahydrothiophenes, tetrahydroselenophenes, stannacyclopentanes, phospholenes, and isothiazoles.

  锆金属环的反应用于生产各种主族杂环，包括硼醇 Diels-Alder 二聚体、galloles、indacyclopentadienes、siloles、germoles、stannoles、phospholes、arsoles、stiboles、bismoles、噻吩、硒代四氢噻吩、二氢噻吩、二氢噻吩、四氢硒酚、锡环戊烷、磷烯和异噻唑。讨论了 1-苯基-2,3,4,5-四甲基硼的硼醇 Diels-Alder 二聚体的 X 射线晶体学研究，并与 7-降冰片烯基碳鎓离子的结构进行了比较。描述了这种金属环转移反应的范围和潜力
• Reactions of Zirconacyclopentadienes with Nitrosobenzene. Characterization of Zirconacycle Intermediates and Formation of <i>N</i>-Phenylpyrroles
  作者：Masaaki Nakamoto、T. Don Tilley

  DOI：10.1021/om010873h

  日期：2001.12.1
• Novel zirconacyclopentadiene complex; 8,8-bis(cyclopentadienyl)-7,9-bis(trimethylstannyl)-8-zirconabicyclo-[4.3.0]nona-1(9),6(7)-diene: synthesis, X-ray analysis, and catalytic activity for ethylene polymerization
  作者：Kunihiro Oouchi、Makoto Mitani、Michiya Hayakawa、Tohru Yamada、Teruaki Mukaiyama

  DOI：10.1016/0022-328x(96)06127-x

  日期：1996.6

  Zirconacyclopentadiene complex 2c containing gem-dimetallated carbon atoms by zirconium and tin was prepared by the oxidative coupling reaction of 'Cp(2)Zr' with distannyldiyne compounds. Complex 2c having trimethylstannyl groups was characterized by X-ray diffraction and its structure was compared with zirconacyclopentadiene analogues having tert-butyl groups (2a) or trimethylsilyl groups (3). The five-membered zirconacycle ring of 2c has a planar conformation whereas it is twisted in complexes 2a and 3. The C-Zr-C angle in 2c is smaller than those of the corresponding 2a and 3. The polymerization of ethylene proceeded when these complexes were used in combination with methylaluminoxane and it was found that the catalytic activities of these complexes were remarkably influenced by the substituents on the alpha-carbon atoms.
• NEGISHI EI-ICHI; CEDERBAUM F. E.; TAKAHASHI TAMOTSU, TETRAHEDRON LETT., 27,(1986) N 25, 2829-2832
  作者：NEGISHI EI-ICHI、 CEDERBAUM F. E.、 TAKAHASHI TAMOTSU

  DOI：——

  日期：——