titanium(IV) hydride phenoxide | 1011294-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: titanium(IV) hydride phenoxide
• 英文别名: phenoxytitanium trihydride；phenoxytitanium hydride
• CAS: 1011294-45-3
• 化学式: C₆H₈OTi
• 分子量: 144.009
• InChiKey: KOUFSZKKQQZINE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  8.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  苯酚 在 偶氮二异丁腈 作用下， 以 甲苯 为溶剂， 反应 48.0h， 生成 titanium(IV) hydride phenoxide
  参考文献：
  名称：

  WO2008/32985

  摘要：

  公开号：

文献信息

• Advanced preparation method of organic-transition metal hydride complexes as hydrogen storage materials
  申请人：Kim Jong Sik

  公开号：US20090227808A1

  公开（公告）日：2009-09-10

  The present invention relates to an advanced preparation method of organic-transition metal hydride used as hydrogen storage materials, the method including: preparing organic-transition metal-aluminum hydride complexes by reacting the organic-transition metal halide with metal aluminum hydride compounds; and preparing the organic-transition metal hydride by reacting the organic-transition metal aluminum hydride complexes with Lewis bases. Since the preparation method of the organic-transition metal hydride according to the present invention does not use catalysts, it has advantages that it does not cause problems due to poisoning and can prepare the organic-transition metal hydride at high yield under less stringent conditions. The hydrogen storage materials containing the organic-transition metal hydride prepared from the preparation method can safely and reversibly store a large amount of hydrogen.

  本发明涉及一种用作氢储存材料的有机-过渡金属氢化物的先进制备方法，该方法包括：通过将有机-过渡金属卤化物与金属铝氢化物化合物反应制备有机-过渡金属-铝氢化物络合物；并通过将有机-过渡金属-铝氢化物络合物与路易斯碱反应制备有机-过渡金属氢化物。由于本发明的有机-过渡金属氢化物制备方法不使用催化剂，具有不会因中毒而导致问题并且可以在较宽松的条件下高产率制备有机-过渡金属氢化物的优点。从该制备方法制备的含有有机-过渡金属氢化物的氢储存材料可以安全、可逆地储存大量氢气。
• ORGANOMETALLIC COMPLEXES AS HYDROGEN STORAGE MATERIALS AND A METHOD OF PREPARING THE SAME
  申请人：Ihm Jisoon

  公开号：US20100022791A1

  公开（公告）日：2010-01-28

  The present invention relates to an organic-transition metal complex which can safely and reversibly store hydrogen in a high capacity, and a process for preparing the same. In order to achieve the objects, the hydrogen storage material according to the invention comprises a complex generated by combination of an organic substance containing a hydroxyl (—OH) group(s) with a transition metal containing compound, which can more effectively store hydrogen with more than one transition metal being bonded per molecule. Examples of the organic substances containing hydroxyl (—OH) group(s) include alkyl derivatives such as ethylene glycol, trimethylene glycol and glycerol, and hydroxyl-containing aryl derivatives such as fluoroglucinol. As the transition metal, titanium (Ti), vanadium (V) and scandium (Sc), which can make Kubas binding, may be mentioned.

  本发明涉及一种有机过渡金属配合物，可以安全、可逆地高容量地储存氢气，并且涉及其制备方法。为了实现这一目标，根据本发明的氢气储存材料包括一种由含有羟基（—OH）基团的有机物质与含有过渡金属的化合物结合生成的配合物，该配合物每个分子中可以结合多于一个过渡金属，从而更有效地储存氢气。含有羟基（—OH）基团的有机物质的例子包括乙二醇、三亚甲基乙二醇、甘油等烷基衍生物，以及含羟基苯基衍生物如三羟基苯。作为过渡金属，可以提及能够形成Kubas键合的钛（Ti）、钒（V）和钪（Sc）。
• MORE ADVANCED PREPARATION METHOD OF ORGANIC-TRANSITION METAL HYDRIDE COMPLEXES CONTAINING ARYL GROUP OR ALKYL GROUP AS HYDROGEN STORAGE MATERIALS
  申请人：Kim Jong Sik

  公开号：US20100036145A1

  公开（公告）日：2010-02-11

  The present invention relates to a more advanced preparation method of organic-transition metal hydride as a hydrogen storage material, precisely a more advanced preparation method of organic-transition metal hydride containing aryl or alkyl group that facilitates safe and reverse storage of massive amount of hydrogen. The present invention relates to a preparation method of an organic-transition metal hydride comprising the steps of preparing a complex reducing agent composition by reacting alkali metal, alkali earth metal or a mixture thereof and (C10˜C20) aromatic compound in aprotic polar solvent; and preparing organic-transition metal hydride by reacting the prepared complex reducing agent composition and organic-transition metal halide. The method of the present invention has advantages of minimizing the numbers and the amounts of byproducts by using a complex reducing agent and producing organic-transition metal hydride safely without denaturation under more moderate reaction conditions.

  本发明涉及一种更先进的有机-过渡金属氢化物制备方法，准确地说是一种更先进的有机-过渡金属氢化物制备方法，其中包含有利于安全和反向储存大量氢的芳基或烷基基团。本发明涉及一种有机-过渡金属氢化物的制备方法，包括以下步骤：通过在无水极性溶剂中反应碱金属、碱土金属或其混合物和（C10˜C20）芳香化合物来制备复杂还原剂组成；通过反应所制备的复杂还原剂组成和有机-过渡金属卤化物来制备有机-过渡金属氢化物。本发明的方法具有使用复杂还原剂最小化副产物数量和量，并在更温和的反应条件下安全地产生有机-过渡金属氢化物而不发生变性的优点。
• Preparation method of organic-transition metal hydride complexes and their use as hydrogen storage materials
  申请人：HANWHA CHEMICAL CORPORATION

  公开号：EP2098530B1

  公开（公告）日：2015-05-06