(cyclopenta-2,4-dien-1-ylidenemethyl)cyclohexane | 89618-84-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (cyclopenta-2,4-dien-1-ylidenemethyl)cyclohexane
• 英文别名: 6-cyclohexylfulvene；cyclopenta-2,4-dien-1-ylidenemethylcyclohexane
• CAS: 89618-84-8
• 化学式: C₁₂H₁₆
• 分子量: 160.259
• InChiKey: JZLAYHCMSHSZKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  (cyclopenta-2,4-dien-1-ylidenemethyl)cyclohexane 在 iron(III) chloride 作用下， 以 甲醇 为溶剂， 以29 %的产率得到dispiro[4.0.56.15]dodeca-1,3-diene
  参考文献：
  名称：

  甲酰基到苯基的转化：意外的光化学富烯重排

  摘要：

  通过计算设计并研究了涉及富烯和杜瓦苯衍生物作为中间体的将醛转化为芳烃的反应序列。不同富烯的辐照会导致不寻常的光致异构化并产生螺[2.4]庚二烯。

  DOI：

  10.1002/anie.202303119
• 作为产物：
  描述：

  环戊二烯 、 环己烷基甲醛 在 四氢吡咯 作用下， 以 甲醇 、 水 为溶剂， 以94 %的产率得到(cyclopenta-2,4-dien-1-ylidenemethyl)cyclohexane
  参考文献：
  名称：

  甲酰基到苯基的转化：意外的光化学富烯重排

  摘要：

  通过计算设计并研究了涉及富烯和杜瓦苯衍生物作为中间体的将醛转化为芳烃的反应序列。不同富烯的辐照会导致不寻常的光致异构化并产生螺[2.4]庚二烯。

  DOI：

  10.1002/anie.202303119

文献信息

• Accessing Monosubstituted Cyclopentadienyl Rhodium(I) and Iridium(I) Complexes by a Simultaneous Nucleophilic Addition-Metalation Approach to Fulvenes
  作者：Aragorn Laverny、Nicolai Cramer

  DOI：10.1021/acs.organomet.0c00550

  日期：2020.12.28

  Despite advances in the synthesis of polysubstituted cyclopentadienyl metal complexes, the rapid access to a library of monosubstituted Cp bearing metal complexes remains challenging. A convenient and general method to access a broad range of monosubstituted cyclopentadienyl rhodium(I) and iridium(I) complexes is reported. The process involves a direct nucleo-metalation of fulvenes with widely available

  尽管在多取代的环戊二烯基金属配合物的合成方面取得了进展，但是快速获得带有单取代的Cp的金属配合物的文库仍然具有挑战性。据报道，一种方便且通用的方法可用于广泛的单取代的环戊二烯基铑（I）和铱（I）配合物。该方法涉及富勒烯与广泛可用的金属前体的直接核金属化，以高收率提供一组CpRh I（烯烃）2和CpIr I（烯烃）2配合物。发现广泛的基于氧，氮和碳的亲核试剂可胜任该方法，并提供了环戊二烯基部分的良好调节能力。
• A chiral scandium-complex-catalyzed asymmetric inverse-electron-demand oxa-Diels–Alder reaction of <i>o</i>-quinone methides with fulvenes
  作者：Jianlin Zhang、Lili Lin、Changqiang He、Qian Xiong、Xiaohua Liu、Xiaoming Feng

  DOI：10.1039/c7cc08124c

  日期：——

  A highly efficient asymmetric inverse-electron-demand oxa-Diels–Alder reaction of o-quinone methides with fulvenes has been realized using a chiral N,N′-dioxide/Sc(III) complex as the catalyst. The corresponding optically active chromane derivatives were obtained in high yields with excellent dr and ee values (up to 99% yield, >19 : 1 dr and 94% ee).

  使用手性N，N′-二氧化物/ Sc（III）配合物作为催化剂，可以实现邻醌甲基化物与富烯的高效不对称逆电子要求的oxa-Diels-Alder反应。以高收率获得了具有优异的dr和ee值的相应的旋光性苯并二氢吡喃衍生物（高达99％的收率，＞ 19∶1的dr和94％的ee）。
• Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin
  申请人：Kawai Koji

  公开号：US20050228155A1

  公开（公告）日：2005-10-13

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon-atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产一个能够制备具有高聚合活性的等规聚物的催化剂。该金属茂化合物含有一个取代环戊二烯基和一个(取代)芴基，并且具有这些基团被碳氢基团或类似物桥接的结构。本发明的制备金属茂化合物的方法旨在选择性地制备特定的金属茂化合物，以避免产生异构体，在该过程中通过特定的方法合成中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3到8个碳原子的α-烯烃或共聚合3到8个碳原子的烯烃和另一个α-烯烃。
• Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin
  申请人：Kawai Koji

  公开号：US06939928B1

  公开（公告）日：2005-09-06

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产一种能够制备高聚合活性的等规聚合物的催化剂。该金属茂化合物含有取代环戊二烯基基团和（取代）芴基团，并且具有这些基团由碳氢化合物桥接或类似物桥接的结构。本发明的制备金属茂化合物的方法旨在有选择地制备特定的金属茂化合物，以避免产生异构体，在该过程中，通过特定方法合成中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3至8个碳原子的α-烯烃或共聚合3至8个碳原子的烯烃和另一种α-烯烃。
• Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin
  申请人：Mitsui Chemicals, Inc.

  公开号：US07449533B2

  公开（公告）日：2008-11-11

  The metallocene compound according to the invention and the olefin polymerization catalyst containing the compound are intended to produce a catalyst capable of preparing an isotactic polymer with a high polymerization activity. The metallocene compound contains a substituted cyclopentadienyl group and a (substituted) fluorenyl group and has a structure wherein these groups are bridged by a hydrocarbon group or the like. The process for preparing a metallocene compound according to the invention is intended to selectively prepare a specific metallocene compound so as not to produce an isomer, and in this process an intermediate product is synthesized by a specific method. The process for preparing a polyolefin according to the invention is intended to prepare a polyolefin having excellent impact resistance and transparency, and this process comprises homopolymerizing an α-olefin of 3 to 8 carbon-atoms or copolymerizing an olefin of 3 to 8 carbon atoms and another α-olefin in the presence of an olefin polymerization catalyst containing the above-mentioned metallocene compound.

  本发明的金属茂化合物和含有该化合物的烯烃聚合催化剂旨在生产能够制备高聚合活性的同形聚合物的催化剂。该金属茂化合物含有取代环戊二烯基和（取代）芴基，并且具有这些基团由碳氢化合物等桥接的结构。本发明的制备金属茂化合物的方法旨在有选择地制备特定的金属茂化合物，以避免产生异构体，在此过程中，通过特定方法合成了中间产物。本发明的制备聚烯烃的方法旨在制备具有优异的冲击强度和透明度的聚烯烃，该方法包括在上述含有金属茂化合物的烯烃聚合催化剂的存在下，同聚合3至8个碳原子的α-烯烃或共聚合3至8个碳原子的烯烃和另一种α-烯烃。