6-(2-adamantylidene)benzofulvene | 874918-94-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(2-adamantylidene)benzofulvene
• CAS: 874918-94-2
• 化学式: C₁₉H₂₀
• 分子量: 248.368
• InChiKey: KWAGSLWTAZLKQR-GYQLCJOXSA-N

物化性质

• 沸点：
  388.9±9.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  vanadocene 、 6-(2-adamantylidene)benzofulvene 以 甲苯 为溶剂， 以67 %的产率得到
  参考文献：
  名称：

  五富烯钒配合物：用于前所未有的 VanadoceneIII 衍生物的合成子

  摘要：

  CpV(η 6 −C 6 H 6 )处的苯配体与五富烯交换，产生第一个具有 π-η 5 :σ-η 1配位五富烯的钒络合物。关于含有多键的底物的元素-H 活化和插入反应的连续反应性研究产生了罕见的 vandocene III酚盐、醇化物和酰胺配合物的例子，并通过单晶 X 射线衍射阐明了某些结构。

  DOI：

  10.1002/chem.202203846

文献信息

• Chiral Bis(η⁵:η¹-pentafulvene)titanium Complexes
  作者：Mira Diekmann、Geert Bockstiegel、Arne Lützen、Marion Friedemann、Wolfgang Saak、Detlev Haase、Rüdiger Beckhaus

  DOI：10.1021/om050815m

  日期：2006.1.1

  The series of bis(pentafulvene)titanium complexes (η6-C5H4CR2)2Ti (CR2 = C(p-tol)2 (3), adamantyl (4)) and their corresponding bis(benzofulvene) derivatives (η6-C9H6CR2)2Ti (CR2 = C(p-tol)2 (7), adamantyl (8)) have been synthesized by reaction of TiCl3·3THF with the pentafulvene ligands (2 equiv) and magnesium as reducing agent (1.5 equiv). The bis(fulvene) complexes 7 and 8 have been obtained as diastereomerically

  该系列的双（pentafulvene）钛络合物（η 6 -C 5 H ^ 4 CR 2）2的Ti（CR 2 = C（p -tol）2（3），金刚烷基（4））和它们的相应的双（benzofulvene）衍生物（η 6 -C 9 ħ 6 CR 2）2的Ti（CR 2 = C（p -tol）2（7），金刚烷基（8））已通过的TiCl的反应合成的3·五THF配体（2当量）和镁作为还原剂（1.5当量）的3THF。双（富烯）配合物7和8是作为非对映异构体纯的化合物而获得的。所有配合物均已通过光谱学和单晶X射线衍射进行了表征。接合情况最好描述为一个π-η 5：σ-η 1个配位模式。双（富烯）配合物3大约为C 2对称，而7在单斜空间群P 2 1中结晶为团块，其中一种对映体被鉴定为（S，p S，pR）立体异构体，显示C 1对称性。金刚烷苯并富戊烯配合物8在单斜空间群P 2 1 / c中结晶；两个苯并富勒烯配
• Highly selective ethylene trimerization catalyzed by half-sandwich indenyl titanium complexes with pendant arene groups and MAO
  作者：Yanlu Zhang、Haiyan Ma、Jiling Huang

  DOI：10.1016/j.molcata.2013.03.005

  日期：2013.7

  A series of half-sandwich indenyl titanium complexes [Ind-(bridge)-Ar]TiCl3 (C1-C9) bearing pendant arene group on indenyl ring have been synthesized and used for the catalytic ethylene trimerization to 1-hexene in the presence of MAO. The molecular structures of complexes C3 [Ind-C(cydo-C5H10)-Ph]TiCl3 and C5 [Ind-C(cyclo-C5H10)-(p-MePh)]TiCl3 have been established by single-crystal X-ray diffraction study. No intramolecular coordination interaction between the arene moiety and the titanium center could be observed in the solid state of these complexes. At 0 degrees C and 0.8 MPa of ethylene pressure, upon activation with MAO, C3 possesses the highest activity of 1968 kg of 1-hexene/(mol-Tih) and the overall selectivity of 95.9% by mass for 1-hexene, and is also more active than the corresponding cyclopentadienyl analog [Cp-C(cyclo-C5H10)-Ph]TiCl3 (C10) under the identical conditions. The substituents of various steric and electronic effects on the pendant arene group and the bridge unit between the indenyl and this arene group exert great influence on the activity and selectivity of these indenyl titanium complexes for ethylene trimerization to 1-hexene. Similar to cyclopentadienyl analogs, upon activation with MAO the resultant indenyl catalytic systems also show great sensitivity to the temperature. With the increase of the reaction temperature, both the activity and selectivity of 1-hexene declined. (C) 2013 Elsevier B.V. All rights reserved.