Samarium,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]tris(tetrahydrofuran)- | 159404-04-3

• 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: Samarium,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]tris(tetrahydrofuran)-
• 英文别名: ((C6H2-tBu2-2,6-Me-4)O)2Sm(II)(tetrahydrofuran)3 complex；[(2,6-di-tert-butyl-4-methyl-phenoxide)2Sm(THF)3]
• CAS: 159404-04-3；166943-02-8；163059-98-1；158759-39-8
• 化学式: C₄₂H₇₀O₅Sm
• 分子量: 805.375
• InChiKey: KHSWRCYWMANDJQ-UHFFFAOYSA-L

计算性质

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

• 作为反应物：
  描述：

  Samarium,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]tris(tetrahydrofuran)- 、 三苯基氧化膦 以 甲苯 为溶剂， 生成 tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)
  参考文献：
  名称：

  Tris(2,6-di-tert-butyl-4-methylphenolato-O)(triphenylphosphine oxide-O)samarium(III)

  摘要：

  In the title complex, [Sm(C15H23O)(3)(C18H15OP)], the central metal atom is coordinated by three O atoms of the aryloxo ligands and by one O atom of the triphenylphosphine oxide molecule resulting in a distorted tetrahedral geometry. The Sm-O-Ar distances (Ar is aryl) range from 2.122 (2) to 2.190 (2) Angstrom and the Sm-O-PPh3 bond length is 2.306 (2) Angstrom.

  DOI：

  10.1107/s0108270100010192
• 作为产物：
  描述：

  以 四氢呋喃 为溶剂， 生成 Samarium,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]tris(tetrahydrofuran)-
  参考文献：
  名称：

  Evans, William J.; Anwander, Reiner; Ansari, Mohammad A., Inorganic Chemistry, 1995, vol. 34, # 1, p. 5 - 6

  摘要：

  DOI：

文献信息

• C5Me5/ER-Ligated samarium(II) complexes (ER=OAr, SAr, NR1R2): a new type of olefin polymerization catalysts
  作者：Zhaomin Hou、Yasuo Wakatsuki

  DOI：10.1016/s0925-8388(00)00654-x

  日期：2000.5

  Abstract The synthesis and polymerization reactions of a series of C5Me5/ER-ligated lanthanide(II) complexes (ER=OAr, SAr, NR1R2) are described. In sharp contrast with the previously known metallocene complexes, this type of heteroleptic samarium(II) complex acts as a unique catalytic system, which cannot only polymerize styrene and ethylene, but also copolymerize them into block styrene–ethylene copolymers

  摘要 描述了一系列 C5Me5/ER 连接的镧系元素 (II) 配合物 (ER=OAr, SAr, NR1R2) 的合成和聚合反应。与之前已知的茂金属配合物形成鲜明对比的是，这种杂配钐（II）配合物作为一种独特的催化体系，不仅可以聚合苯乙烯和乙烯，还可以在两种单体的存在下将它们共聚成嵌段苯乙烯-乙烯共聚物.
• One-Electron Reduction of Aromatic Ketones by Low-Valent Lanthanides. Isolation, Structural Characterization, and Reactivity of Lanthanide Ketyl Complexes
  作者：Zhaomin Hou、Akira Fujita、Yugen Zhang、Takanori Miyano、Hiroshi Yamazaki、Yasuo Wakatsuki

  DOI：10.1021/ja973184z

  日期：1998.2.1

  reactivity of a series of lanthanide ketyl complexes, which are generated by reactions of benzophenone and fluorenone with several different types of lanthanide reducing agents including Ln(OAr)2(L)x (Ar = C6H2-tBu2-2,6-Me-4; 1a: Ln = Sm, L = THF, x = 3; 1b: Ln = Yb, L = THF, x = 3; 1c: Ln = Sm, L = HMPA, x = 2; 1d: Ln = Yb, L = HMPA, x = 2), (C5Me5)2Ln(THF)2 (Ln = Sm, Yb), (C5Me5)Sm(OAr)(HMPA)2, Sm(N(SiMe3)2)2(THF)2

  在本文中，我们报告了一系列镧系元素羰基配合物的分离、结构表征和反应性，这些配合物是由二苯甲酮和芴酮与几种不同类型的镧系元素还原剂（包括 Ln(OAr)2(L)x）反应生成的。 Ar = C6H2-tBu2-2,6-Me-4；1a：Ln = Sm，L = THF，x = 3；1b：Ln = Yb，L = THF，x = 3；1c：Ln = Sm，L = HMPA, x = 2; 1d: Ln = Yb, L = HMPA, x = 2), (C5Me5)2Ln(THF)2 (Ln = Sm, Yb), (C5Me5)Sm(OAr)(HMPA)2, Sm (N(SiMe3)2)2(THF)2 和 Ln/HMPA (Ln = Sm, Yb) (HMPA = 六甲基磷酰胺)。1a-d 与 1 当量芴酮在 THF 中的反应以 85-90% 的分离产率提供相应的羰基配合物 Ln(OAr)2(ketyl)(L)2
• Reduction of Ketimines by Samarium(II) Complexes. Isolation and Structural Characterization of Samarium(III) <i>η</i>¹-Amine/<i>η</i>¹-Ketimido and <i>η</i>²-Ketimine Complexes
  作者：Zhaomin Hou、Chikako Yoda、Take-aki Koizumi、Masayoshi Nishiura、Yasuo Wakatsuki、Shin-ichi Fukuzawa、Josef Takats

  DOI：10.1021/om030366v

  日期：2003.8.1

  imine (Ph2CNPh) and N-phenyl fluorenone imine (C12H8CNPh) yielded the Sm(III) η2-imine-dianion/aryloxide complexes Sm(η2-Ph2CNPh)(OAr)(THF)3 (3, 65%) and Sm(η2-C12H8CNPh)(OAr)(THF)3 (4, 77%), respectively, together with the byproduct Sm(OAr)3. The reaction of 1 equiv of Sm(OAr)2(THF)3 with Ph2CNPh also gave the imine-dianion complex 3, whereas an imine radical anion species was not observed. Similarly

  在室温下，（C 5 Me 5）2 Sm（THF）2与2当量的二苯甲酮亚胺（Ph 2 C NH）在THF中的反应得到三茂铁（III）胺/酮亚胺基络合物（C 5 Me 5）2 Sm （N CPh 2）（NH 2 CHPh 2）（1）的分离产率为58％。使用1当量的Ph 2 C NH也可将1作为唯一的可分离产物，尽管产率较低（约20％）。氘标记实验表明1通过原位生成的亚胺自由基阴离子物质夺氢形成氢，然后酰胺基与另一种Ph 2 C NH分子之间发生酸碱反应。2当量Sm（OAr）2（THF）3（Ar = C 6 H 2 - t卜2 -2,6-ME-4）ñ -苯基二苯甲酮亚胺（PH 2 ç NPH）和ñ -苯基芴亚胺（C 12 H ^ 8 Ç NPH）得到的Sm（III）η 2 -亚胺-二价阴离子/芳氧基配合物的Sm（η 2 -Ph 2 CNPH）（OAR）（THF）3（3，65％）和Sm（η 2 -C
• Hou, Zhaomin; Zhang, Yugen; Yoshimura, Takashi, Organometallics, 1997, vol. 16, p. 2963 - 2970
  作者：Hou, Zhaomin、Zhang, Yugen、Yoshimura, Takashi、Wakatsuki, Yasuo

  DOI：——

  日期：——
• Synthesis and molecular structure of the cationic samarium phenoxide complex [(ArO)2Sm(DME)2][BPh4]·THF and its catalytic activity for the polymerization of ε-caprolactone
  作者：Hong-Ting Sheng、Hui Zhou、Hua-Dong Guo、Hong-Mei Sun、Ying-Ming Yao、Jun-Feng Wang、Yong Zhang、Qi Shen

  DOI：10.1016/j.jorganchem.2006.11.013

  日期：2007.2

  The first cationic samarium phenoxide complex, [(ArO)(2)Sm(DME)(2)][BPh4] center dot THF (ArO = 2,6-di-tert-butyl-4-metyl-phenoxide) (1), has been synthesized by one-electron oxidation reaction of (ArO)(2)Sm(THF)(3) with AgBPh4 in high yield and structurally characterized. The complex I can be used as a single-component catalyst for the ring-opening polymerization of e-caprolactone (epsilon-CL) with high activity. The activity of the complex I is much higher than that of the parent neutral complex (ArO)(3)Sm(THF)(2), and is comparable to that of the divalent complex (ArO)(2)Sm(THF)(3). A coordination-insertion polymerization mechanism was supposed according to the end-group analysis. (c) 2006 Elsevier B.V. All rights reserved.