neomenthylcyclopentadiene | 69165-85-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: neomenthylcyclopentadiene
• 英文别名: (1s,2s,4r)-2-Cyclopenta-1,3-dien-1-yl-1-isopropyl-4-methylcyclohexane；(1S,2S,4R)-2-cyclopenta-1,3-dien-1-yl-4-methyl-1-propan-2-ylcyclohexane
• CAS: 69165-85-1
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: DQWREZVDUHDKJE-VHDGCEQUSA-N

物化性质

• 沸点：
  275.0±7.0 °C(Predicted)
• 密度：
  0.906±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  15
• 可旋转键数：
  2
• 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：

  neomenthylcyclopentadiene 、 丙酮 在 四氢吡咯 作用下， 以 甲醇 为溶剂， 以95%的产率得到6,6-dimethyl-3-neomenthylfulvene
  参考文献：
  名称：

  Synthesis, characterization and polymerization properties of isopropylidene(η5-3-neomenthylcyclopentadienyl)(η5-fluorenyl)zirconium dichloride

  摘要：

  The reaction of neomenthylcyclopentadiene with acetone solution led to 6,6-dimethyl-3-neomenthylfulvene (6). The bridged 3-neomenthylcyclopentadienyl-2-fluorenylpropane (7) has been isolated after reaction of 6 with fluorenyllithium salt. The reaction of ZrCl4 with the dilithium salt of 7 in diethyl ether yields the complex isopropylidene(eta (5)-3-neomenthylCp)-(eta (5)-9-fluorenyl)ZrCl2 (4) as a 60:40 mixture of diastereomers. The complex was fully characterized by single-crystal X-ray diffraction and NMR methods. Complex 4 is an active catalyst for the homogeneous polymerization of propylene when activated by methylaluminoxane methods (MAO). The polypropylene polymer produced with 4 has lower molecular weight and a lower degree of syndiotactic or hemiisotactic stereoregularity, but a higher degree of isotactic character (mm tried of 63%) than the polymer produced with the syndiospecific catalyst isopropylidene(Cp)(Flu)ZrCl2 (la) under these conditions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00786-5

文献信息

• Synthesis, characterization and polymerization properties of isopropylidene(η5-3-neomenthylcyclopentadienyl)(η5-fluorenyl)zirconium dichloride
  作者：Ronald L. Halterman*、Darryl R. Fahey*、Vladimir P. Marin、David W. Dockter、Masood A. Khan

  DOI：10.1016/s0022-328x(00)00786-5

  日期：2001.4

  The reaction of neomenthylcyclopentadiene with acetone solution led to 6,6-dimethyl-3-neomenthylfulvene (6). The bridged 3-neomenthylcyclopentadienyl-2-fluorenylpropane (7) has been isolated after reaction of 6 with fluorenyllithium salt. The reaction of ZrCl4 with the dilithium salt of 7 in diethyl ether yields the complex isopropylidene(eta (5)-3-neomenthylCp)-(eta (5)-9-fluorenyl)ZrCl2 (4) as a 60:40 mixture of diastereomers. The complex was fully characterized by single-crystal X-ray diffraction and NMR methods. Complex 4 is an active catalyst for the homogeneous polymerization of propylene when activated by methylaluminoxane methods (MAO). The polypropylene polymer produced with 4 has lower molecular weight and a lower degree of syndiotactic or hemiisotactic stereoregularity, but a higher degree of isotactic character (mm tried of 63%) than the polymer produced with the syndiospecific catalyst isopropylidene(Cp)(Flu)ZrCl2 (la) under these conditions. (C) 2001 Elsevier Science B.V. All rights reserved.