fulvene | 153620-37-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: fulvene
• 英文别名: 1-(cyclopenta-2,4-dien-1-ylidene)-1,2,3,4-tetrahydronaphthalene；4-cyclopenta-2,4-dien-1-ylidene-2,3-dihydro-1H-naphthalene
• CAS: 153620-37-2
• 化学式: C₁₅H₁₄
• 分子量: 194.276
• InChiKey: UKBSERPFCKPTFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  fulvene 在 氢氧化钾 、 碳酸氢钠 、 溶剂黄146 作用下， 反应 4.5h， 生成 7-(3,4-Dihydro-2H-naphthalen-1-ylidene)-2,3-diaza-bicyclo[2.2.1]hept-2-ene
  参考文献：
  名称：

  Conformational effects on high-spin organic molecules

  摘要：

  The ability of m-phenylene to ferromagnetically couple spin-containing substituents that are substantially twisted out of conjugation is investigated. The ''bis(TMM)'' strategy is employed, in which two triplet TMM biradicals am linked through m-phenylene to produce relatively stable, organic tetraradicals that are characterized by EPR spectroscopy. Under conditions of moderate twisting (4), ferromagnetic coupling is seen, and the tetraradical has a quintet ground state. Severely twisting both TMMs as in 13 disrupts spin communication, and two noninteracting triplets are produced. This is in contrast to other highly twisted m-phenylene derivatives, in which antiferromagnetic coupling has been observed. Surprisingly, severely twisting only one TMM (14) still produces ferromagnetic coupling and a quintet ground state through a spin polarization mechanism analogous to that proposed for 90-degrees twisted ethylene. Several ring-constrained TMMs (17-19) are investigated as models for mom nearly planar systems.

  DOI：

  10.1021/j100152a035
• 作为产物：
  描述：

  甲基溴化镁 、 环戊二烯 、 3,4-二氢-1(2H)-萘酮 生成 fulvene
  参考文献：
  名称：

  Conformational effects on high-spin organic molecules

  摘要：

  The ability of m-phenylene to ferromagnetically couple spin-containing substituents that are substantially twisted out of conjugation is investigated. The ''bis(TMM)'' strategy is employed, in which two triplet TMM biradicals am linked through m-phenylene to produce relatively stable, organic tetraradicals that are characterized by EPR spectroscopy. Under conditions of moderate twisting (4), ferromagnetic coupling is seen, and the tetraradical has a quintet ground state. Severely twisting both TMMs as in 13 disrupts spin communication, and two noninteracting triplets are produced. This is in contrast to other highly twisted m-phenylene derivatives, in which antiferromagnetic coupling has been observed. Surprisingly, severely twisting only one TMM (14) still produces ferromagnetic coupling and a quintet ground state through a spin polarization mechanism analogous to that proposed for 90-degrees twisted ethylene. Several ring-constrained TMMs (17-19) are investigated as models for mom nearly planar systems.

  DOI：

  10.1021/j100152a035

文献信息

• Bicyclic bridged metallocene compounds and polymers produced therefrom
  申请人：Chevron Phillips Chemical Company LP

  公开号：US09758600B1

  公开（公告）日：2017-09-12

  Disclosed herein are catalyst compositions containing bicyclic bridged metallocene compounds. These catalyst compositions can be used for the polymerization of olefins. For example, ethylene polymers produced using these catalyst compositions can be characterized by low molecular weights and high melt flow rates, and can be produced without the addition of hydrogen.

  本文披露了含有双环桥联金属茂化合物的催化剂组合物。这些催化剂组合物可用于烯烃的聚合反应。例如，使用这些催化剂组合物生产的乙烯聚合物具有低分子量和高熔流速率的特点，并且可以在不添加氢气的情况下生产。
• A Practical and General Diels–Alder Reaction of Pentafulvenes with Arynes
  作者：Sachin Suresh Bhojgude、Trinadh Kaicharla、Anup Bhunia、Akkattu T. Biju

  DOI：10.1021/ol301742k

  日期：2012.8.17

  A high-yielding, versatile and practical Diels-Alder reaction of pentafulvenes with arynes under mild reaction conditions is reported. The aryne generated by the fluoride induced 1,2-elimination of 2-(trimethylsilyl)aryl triflates undergoes efficient cycloaddition with 6-substituted and 6,6-disubstituted pentafulvenes leading to the formation of benzonorbornadiene derivatives.