| 864767-24-8

• CAS: 864767-24-8
• 化学式: C₁₈H₂₁ClO₂Ti
• 分子量: 352.697
• InChiKey: TTYWZWBBDSWFOE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions

  摘要：

  一种操作简单、方便、温和的合成三唑基取代的钛环二烯策略已经开发出来。通过应变驱动的1,3-偶极环加成反应，在含有偶氮功能基团的钛环二烯和环辛炔之间进行反应。这是首次合成含有偶氮基团的钛环二烯。这些化合物构成了“第二代”功能化钛环二烯的构建模块，可用于进一步的合成改进。我们的合成方法是模块化的，大量的复合物原则上可以在短时间内制备出来。其中一些三唑基取代的钛环二烯对BJAB细胞显示出高细胞毒活性。比较最活性的复合物可以确定对生物活性至关重要的结构特征。

  DOI：

  10.3762/bjoc.10.169
• 作为产物：
  描述：

  三氯一茂钛 、 dimethylpyrone 在 叔丁基锂 、 zinc(II) chloride 作用下， 以 not given 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  A Modular and Efficient Synthesis of Functional Titanocenes

  摘要：

  A modular synthesis of functional titanocenes featuring building blocks is described. The approach allows straightforward access to large numbers of structurally diverse titanocenes that are pertinent for catalysis, structural studies, and bioinorganic chemistry. Among the functional groups introduced are amino acids, sugars, and fluorescence labels that are attached to the cyclopentadienyl ligand as esters and amides.

  DOI：

  10.1021/ja054185r

文献信息

• Modular Synthesis of Functional Titanocenes
  作者：Andreas Gansäuer、Iris Winkler、Dennis Worgull、Dieter Franke、Thorsten Lauterbach、Andreas Okkel、Martin Nieger

  DOI：10.1021/om800700c

  日期：2008.11.10

  approach to carbonyl-functionalized titanocenes is described. Through the introduction of highly electrophilic acid chlorides to the complexes, reactions with nucleophiles can be realized that are incompatible with classical methods of titanocene synthesis. The first amino acid functionalized titanocenes were synthesized. The amide- and ketone-functionalized titanocenes are cationic, due to the complexation

  描述了羰基官能化的钛烷的模块化方法。通过向配合物中引入高度亲电的酰基氯，可以实现与亲核试剂的反应，这种反应与经典的钛茂合成方法不兼容。合成了第一个氨基酸功能化的钛烷。由于羰基的络合导致形成未应变的环，因此酰胺和酮官能化的钛烷具有阳离子性。
• Novel Organometallic Gelators with Enhanced Amphiphilic Character: Structure−Property Correlations, Principles for Design, and Diversity of Gelation
  作者：Andreas Gansäuer、Iris Winkler、Thorsten Klawonn、Roeland J. M. Nolte、Martin C. Feiters、Hans G. Börner、Jens Hentschel、Karl Heinz Dötz

  DOI：10.1021/om801022c

  日期：2009.3.9

  A series of new titanocene complexes was synthesized and investigated toward their gelation abilities. The first structure-property correlations for organometallic gelators could be deduced. The gels and their structural diversity were characterized by TEM, cryo-SEM, and AFM as well as CD-spectroscopy. The organometallic gets display an enhanced amphiphilic character compared to typical organic ALS gelators.
• Synthesis of Stable Functional Titanocene Enolates
  作者：Andreas Gansäuer、Andreas Okkel、Dennis Worgull、Gregor Schnakenburg

  DOI：10.1021/om100245r

  日期：2010.7.26

  A modular approach to bench-stable titanocene enolates is described. The reaction of titanocenes containing pendent acid chlorides activated methylene compounds in the presence of excess base results in the formation the pivotal etiolates. In all cases, the enolates are coordinated to the titanocene, which acts as a stabilizing template in an intramolecular manner, as demonstrated by NMR spectroscopy and X-ray crystallo-graphy. Upon protonation with Strong acids, the C-C bond formed (hiring the acylation is cleaved. Hence, the template effect can be reversed by adjusting the acidity of the reaction medium.