4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopentacyclododecene | 181864-62-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopentacyclododecene
• 英文别名: 13-Methyl-bicyclo[10.3.0]pentadeca-1(12),13-dien；4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopenta[12]annulene
• CAS: 181864-62-0
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: FTUXBDLHNGSGTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopentacyclododecene 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Group 4 metallocene complexes with annulated twelve-membered ring cyclopentadienyl ligands: their synthesis, characterization and catalytic behavior in olefin polymerization

  摘要：

  The synthesis, characterization and olefin polymerization properties of Group 4 compounds {1,2-(CH2)(10)(C5H3)}(2) MCl(2) (M = Ti 5, Zr 6, Hf 7) containing annulated twelve-membered ring cyclopentadienyl ligands are reported. The reactions of lithiated annulated cyclopentadiene (Li[1,2-(CH2)(10)C5H3]) with MCl(4)(THF)(2) (M = Ti, Zr) or HfCl4 in tetrahydrofuran gave new metallocene products in reasonable yields. 6 and 7 have been characterized by single crystal X-ray diffraction studies. The compound 6 [7] crystallizes in the orthorhombic space group P2(1)2(1)2(1)[P2(1)2(1)2(1)], with a = 8.188(1) [8.190(5)] Angstrom, b = 11.371(1) [11.352(5)] Angstrom, c = 30.253(1) [30.177(8)] Angstrom, Z = 4 [4] and V = 2816.6(4) [2805.7] Angstrom(3). Both compounds are isostructural and adopt a distorted tetrahedron around the metal center. The steric crowding of the annulated twelve-membered ring in 6 and 7 is greater than that of the seven-membered ring in {2-Me-4,5-(CH2)(5)Cp}2ZrCl2. The catalytic behavior of the new metallocenes in propylene and ethylene polymerization has been studied in the presence of excess amount of methylaluminoxane.

  DOI：

  10.1016/0022-328x(96)06410-8
• 作为产物：
  描述：

  bicyclo[10.3.0]pentadec-1(12)-en-13-one 在 lithium aluminium tetrahydride 、 对甲苯磺酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclopentacyclododecene
  参考文献：
  名称：

  Group 4 metallocene complexes with annulated twelve-membered ring cyclopentadienyl ligands: their synthesis, characterization and catalytic behavior in olefin polymerization

  摘要：

  The synthesis, characterization and olefin polymerization properties of Group 4 compounds {1,2-(CH2)(10)(C5H3)}(2) MCl(2) (M = Ti 5, Zr 6, Hf 7) containing annulated twelve-membered ring cyclopentadienyl ligands are reported. The reactions of lithiated annulated cyclopentadiene (Li[1,2-(CH2)(10)C5H3]) with MCl(4)(THF)(2) (M = Ti, Zr) or HfCl4 in tetrahydrofuran gave new metallocene products in reasonable yields. 6 and 7 have been characterized by single crystal X-ray diffraction studies. The compound 6 [7] crystallizes in the orthorhombic space group P2(1)2(1)2(1)[P2(1)2(1)2(1)], with a = 8.188(1) [8.190(5)] Angstrom, b = 11.371(1) [11.352(5)] Angstrom, c = 30.253(1) [30.177(8)] Angstrom, Z = 4 [4] and V = 2816.6(4) [2805.7] Angstrom(3). Both compounds are isostructural and adopt a distorted tetrahedron around the metal center. The steric crowding of the annulated twelve-membered ring in 6 and 7 is greater than that of the seven-membered ring in {2-Me-4,5-(CH2)(5)Cp}2ZrCl2. The catalytic behavior of the new metallocenes in propylene and ethylene polymerization has been studied in the presence of excess amount of methylaluminoxane.

  DOI：

  10.1016/0022-328x(96)06410-8

文献信息

• Group 4 metallocene complexes with annulated twelve-membered ring cyclopentadienyl ligands: their synthesis, characterization and catalytic behavior in olefin polymerization
  作者：Myong Woon Kim、Eunkee Hong、Taek Kyu Han、Seong Ihl Woo、Youngkyu Do

  DOI：10.1016/0022-328x(96)06410-8

  日期：1996.10

  The synthesis, characterization and olefin polymerization properties of Group 4 compounds 1,2-(CH2)(10)(C5H3)}(2) MCl(2) (M = Ti 5, Zr 6, Hf 7) containing annulated twelve-membered ring cyclopentadienyl ligands are reported. The reactions of lithiated annulated cyclopentadiene (Li[1,2-(CH2)(10)C5H3]) with MCl(4)(THF)(2) (M = Ti, Zr) or HfCl4 in tetrahydrofuran gave new metallocene products in reasonable yields. 6 and 7 have been characterized by single crystal X-ray diffraction studies. The compound 6 [7] crystallizes in the orthorhombic space group P2(1)2(1)2(1)[P2(1)2(1)2(1)], with a = 8.188(1) [8.190(5)] Angstrom, b = 11.371(1) [11.352(5)] Angstrom, c = 30.253(1) [30.177(8)] Angstrom, Z = 4 [4] and V = 2816.6(4) [2805.7] Angstrom(3). Both compounds are isostructural and adopt a distorted tetrahedron around the metal center. The steric crowding of the annulated twelve-membered ring in 6 and 7 is greater than that of the seven-membered ring in 2-Me-4,5-(CH2)(5)Cp}2ZrCl2. The catalytic behavior of the new metallocenes in propylene and ethylene polymerization has been studied in the presence of excess amount of methylaluminoxane.