gadolinium(III) isopropoxide

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: gadolinium(III) isopropoxide
• 英文别名: gadolinium tri-isopropoxide；Gd(OiPr)₃；gadolinium triisopropoxide
• 化学式: C₉H₂₁GdO₃
• 分子量: 334.514
• InChiKey: KMGYKEGPVYWWMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  gadolinium(III) isopropoxide 在 苯酚 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Preparation and some reactions of alkoxides of gadolinium and erbium

  摘要：

  DOI：

  10.1021/ic50093a025
• 作为产物：
  描述：

  gadolinium(III) chloride triisopropanolate 、 sodium isopropylate 以 异丙醇 为溶剂， 生成 gadolinium(III) isopropoxide
  参考文献：
  名称：

  Preparation and some reactions of alkoxides of gadolinium and erbium

  摘要：

  DOI：

  10.1021/ic50093a025
• 作为试剂：
  描述：

  氢氰酸 、 三甲基氰硅烷 、 (2E)-1-pyrrol-1-yl-2-hexen-1-one 在 gadolinium(III) isopropoxide 作用下， 以 various solvent(s) 为溶剂， 反应 42.0h， 以91%的产率得到(3R)-3-cyano-1-pyrrol-1-ylhexan-1-one
  参考文献：
  名称：

  Toward a rational design of the assembly structure of polymetallic asymmetric catalysts: design, synthesis, and evaluation of new chiral ligands for catalytic asymmetric cyanation reactions

  摘要：

  New chiral ligands (4 and 5) for polymetallic asymmetric catalysts were designed based on the hypothesis that the assembled structure should be stable when made from a stable module 8. A metal-ligand 5:6+mu-oxo+OH complex was generated from Gd((OPr)-Pr-i)(3) and 4 or 5, and this complex was an improved asymmetric catalyst for the desymmetrization of meso-aziridines with TMSCN and conjugate addition of TMSCN to alpha,beta-unsaturated N-acylpyrroles, compared to the previously reported catalysts derived from 1-3. These two groups of catalysts produced opposing enantioselectivity even though the ligands had the same chirality. The functional difference in the asymmetric catalysts is derived from differences in the higher-order structure of the polymetallic catalysts. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.02.081

文献信息

• Method of producing oxybutynin and its derivatives
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20040006243A1

  公开（公告）日：2004-01-08

  An oxybutynin and its derivatives are produced by reacting a phenylketone with a silylcyanide in the presence of a specified asymmetric catalyst to obtain a siloxynitrile, and then reacting the siloxynitrile with a reducing agent and oxidizing the resulting aldehyde, or subjecting the siloxynitrile to a hydrolysis.

  通过在指定的不对称催化剂存在下，将苯基酮与硅氰化物反应，制得硅氧腈，然后将硅氧腈与还原剂反应并氧化所得的醛，或者将硅氧腈进行水解，从而生产奥西布丁及其衍生物。
• Assembly State of Catalytic Modules as Chiral Switches in Asymmetric Strecker Amino Acid Synthesis
  作者：Nobuki Kato、Tsuyoshi Mita、Motomu Kanai、Bruno Therrien、Masaki Kawano、Kentaro Yamaguchi、Hiroshi Danjo、Yoshihisa Sei、Akihiro Sato、Sanae Furusho、Masakatsu Shibasaki

  DOI：10.1021/ja060841r

  日期：2006.5.1

  demonstrate novel properties as asymmetric catalysts. We report the three-dimensional structures of two such asymmetric catalysts (crystals A and B) for Strecker alpha,alpha-disubstituted amino acid synthesis. These complexes are constructed via assembly of the same chiral modules derived from d-glucose, but their assembly modes differ. The enantioselectivity in the Strecker reaction was dramatically switched

  自组装手性多金属配合物通常表现出作为不对称催化剂的新特性。我们报告了用于 Strecker α、α-二取代氨基酸合成的两种这种不对称催化剂（晶体 A 和 B）的三维结构。这些复合物是通过组装来自 d-葡萄糖的相同手性模块构建的，但它们的组装模式不同。Strecker 反应中的对映选择性发生了显着变化，具体取决于使用的组装模式：原位生成的催化剂，其结构由晶体 B 或晶体 A 表示。这些发现提供了对高阶结构的功能重要性的洞察一种人工催化剂。
• Novel Metal Complexes for Metal-Containing Film Deposition
  申请人：Lei Xinjian

  公开号：US20130008345A1

  公开（公告）日：2013-01-10

  Novel families of tri-valent metal complexes including scandium, yttrium, lanthanum, cerium, praseodymium, neodymium, samarium, europium, gadolinium, terbium, dysprosium, holmium, erbium, thulium, ytterbium, lutetium, aluminum, gallium, indium, manganese, antimony, bismuth; and of divalent metal complexes including magnesium, calcium, strontium, barium, manganese, cobalt, iron, nickel, ruthenium, copper, zinc, cadium are disclosed. These metal complexes can be used as precursors to deposit metal or metal oxide films in semi-conductor industries.

  本发明揭示了包括钪、钇、镧、铈、镨、钕、钐、铕、钆、铽、镝、钬、铒、铥、镱、铝、镓、铟、锰、锑、铋等三价金属配合物家族，以及镁、钙、锶、钡、锰、钴、铁、镍、钌、铜、锌、镉等二价金属配合物家族。这些金属配合物可以用作半导体工业中沉积金属或金属氧化物薄膜的前体。
• Synthesis and Structural Characterisation of a Hexanuclear Gd^III Compound Gd₆(μ₃-OH)₆(acac)₁₂·1.25 CHCl₃ as a Potential Precursor for Gd₂O₃ Nanomaterials
  作者：Ashutosh Pandey、Anjana Pandey、Peter Mayer、Wolfgang J. Parak

  DOI：10.1515/znb-2009-0302

  日期：2009.3.1

  While aging the reaction mixture of gadolinium tri-isopropoxide with acetylacetone (pentane-2,4- dione, acacH) in a 1 : 2 molar ratio in toluene for crystalisation, crystals of Gd₆(μ₃-OH)₆(acac)₁₂・1.25 CHCl₃ (1) were obtained in high yield. The crystal structure analysis reveals that 1 has a M₆O₁₂ core which is constituted of two distorted, tricapped, face-sharing cubane units (each with one missing edge) wherein the metal atoms are octacoordinated with a distorted square-antiprismatic geometry. In a sol-gel treatment the amorphous xerogel obtained from 1 was transformed into a nano-crystalline product at 600 °C while the xerogel of Gd(OPri)₃ under similar conditions required a heat treatment up to 900 °C for the same development.

  将三异丙醇化钆与乙酰丙酮（戊烷-2,4-二酮，acacH）的反应混合物以 1 : 2 的摩尔比在甲苯中老化结晶时，得到了高产率的 Gd6(μ3-OH)6(acac)12・1.25 CHCl3 晶体（1）。晶体结构分析表明，1 具有一个 M6O12 内核，该内核由两个扭曲的三封端面共面立方单元（每个单元都有一个缺边）构成，其中金属原子为八配位，具有扭曲的正方-反方几何形状。在溶胶-凝胶处理过程中，由 1 得到的无定形异凝胶在 600 °C 时转变为纳米结晶产品，而 Gd(OPri)3 的异凝胶在类似条件下需要经过高达 900 °C 的热处理才能得到相同的发展。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sc: MVol.D3, 2.10, page 29 - 31
  作者：

  DOI：——

  日期：——