sodium (2-methoxyethyl)cyclopentadienide | 129616-77-9

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: sodium (2-methoxyethyl)cyclopentadienide
• 英文别名: sodium 2-methoxyethylcyclopentadienide；sodium 2-methoxyethylcyclopentadienyl
• CAS: 129616-77-9
• 化学式: C₈H₁₁O*Na
• 分子量: 146.165
• InChiKey: UTKOSLOISPFPAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  10.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  氯化铥(III) 、 sodium (2-methoxyethyl)cyclopentadienide 以 四氢呋喃 为溶剂， 以60%的产率得到bis((2-methoxyethyl)cyclopentadienyl)thulium chloride
  参考文献：
  名称：

  Qian, Changtao; Wang, Bing; Deng, Daoli, Inorganic Chemistry, 1994, vol. 33, # 15, p. 3382 - 3388

  摘要：

  DOI：
• 作为产物：
  描述：

  2-溴乙基甲基醚 、 环戊二烯基钠 在 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 sodium (2-methoxyethyl)cyclopentadienide
  参考文献：
  名称：

  Synthesis and characterization of substituted cyclopentadienide ligands that may form chelates or metal dimers

  摘要：

  Nine different substituted cyclopentadienyl ligands, which have substituents that may either chelate or bridge to second metal center, have been prepared from nucleophilic substitution reactions of esters or alkyl halides with NaCp. The sodium or thallium salts of these ligands were isolated as solids and characterized by H-1 NMR. The alkyl halide and NaCp reaction proved to yield the purer salts of the ligands because of the milder reaction conditions. These salts were reacted futher with Mn(CO)(5)Br to form the corresponding manganese tricarbonyl derivatives (i.e. (C(5)H(4)R)Mn(CO)(3); where R=C(O)CH2OCH3, C(O)CH2SCH3, C(O)CH2CH2SCH3, CH2CO2CH3, CH2CO2CH2CH3, CH2CH2CO2CH3, CH2CH2CO2CH2CH3, CH2CH2O2CCH3, and CH2CH2OCH3) and Na(C5H4C(O)CH2OCH3) was reacted with Co-2(CO)(8) to form (C5H4C(O)CH2OCH3)Co(CO)(2). The manganese and cobalt compounds were characterized by elemental analysis, IR, H-1, and C-13 NMR spectra.

  DOI：

  10.1016/0022-328x(95)05802-v

文献信息

• Synthesis and crystal structures of tris(2-methoxyethylcyclopentadienyl)lanthanide complexes
  作者：Changtao Qian、Bing Wang、Daoli Deng、Jie Sun、F. Ekkehardt Hahn、Jian Chen、Peiju Zheng

  DOI：10.1039/dt9960000955

  日期：——

  The tris(2-methoxyethylcyclopentadienyl)lanthanide complexes [Ln(C5H4CH2CH2OMe)3](Ln = La, Pr, Nd, Gd or Y) were synthesized by the reaction of sodium 2-methoxyethylcyclopentadienide with the corresponding LnCl3 and the products were characterized by elemental analyses, mass, IR and 1H NMR spectroscopy. Crystal structure determinations revealed the complexes to be unsolvated monomeric metallocenes

  三（2-甲氧基乙基环戊二烯基）镧系元素配合物[Ln（C 5 H 4 CH 2 CH 2 OMe）3 ]（Ln = La，Pr，Nd，Gd或Y）是通过2-甲氧基乙基环戊二烯酸钠与相应的反应合成的LnCl 3和产物通过元素分析，质量，IR和1 H NMR光谱进行表征。晶体结构测定表明该配合物是未溶剂化的单体金属茂，其镧系中心由三个环戊二烯基环和三个2-甲氧基乙基部分的两个氧原子配位。第三氧不协调。的距离LN-C（η 5）和Ln–O（1）（配位氧）随着离子半径的减小而减小；但是，Ln–O（3）（配位氧）增加。
• Synthesis of bis(2-methoxyethylcyclopentadienyl) complexes of early lanthanide chlorides and the X-ray structure of the lanthanum complex
  作者：Daoli Deng、Changtao Qian、Guang Wu、Peiju Zheng

  DOI：10.1039/c39900000880

  日期：——

  [(MeOCH2CH2C5H4)2Ln(µ-Cl)]2(Ln = La, Pr, and Nd) complexes have been synthesized by the reaction between LnCl3 and McOCH2CH2C5H4Na in tetrahydrofuran; a single-crystal X-ray study has shown that the lanthanum complex is a chlorine-bridged dimer with lanthanum(III) in a pseudo-octahedral co-ordination geometry if the cyclopentadienyl ring is regarded as occupying a single polyhedral vertex.

  [（MeOCH 2 CH 2 C 5 H 4）2 Ln（µ-Cl）] 2（Ln = La，Pr和Nd）络合物是通过LnCl 3和McOCH 2 CH 2 C 5 H 4 Na之间的反应合成的在四氢呋喃中；一项单晶X射线研究表明，如果认为环戊二烯基环占据一个多面体顶点，则该镧络合物是具有伪八面体配位几何结构的镧（III）的氯桥联二聚体。
• Syntheses of new organo-lanthanide complexes [(CH3OCH2CH2C5H4)2LnCl]2 and their XPS
  作者：Daoli Deng、Bing Li、Changtao Qian

  DOI：10.1016/s0277-5387(00)86748-0

  日期：1990.1
• Studies on organolathanide complexes—XLIX. Synthesis of mixed tris-cyclopentadienyl lanthanide complexes, (CH3OCH2CH2C5H4)Ln(C5H5)2, containing one intramolecular coordination bond, crystal structure of (CH3OCH2CH2C5H4)Y(C5H5)2
  作者：Changtao Qian、Bing Wang、Daoli Deng、Xianglin Jin

  DOI：10.1016/s0277-5387(00)88266-2

  日期：1993.9

  By the one-pot reaction of lanthanide trichloride with 2 equivalents of sodium cyclopentadienyl and 1 equivalent of sodium 2-methoxyethylcyclopentadienyl in THF, the mixed tricyclopentadienyl lanthanide complexes (C5H5)2Ln(CH3OCH2CH2C5H4) (Ln = La, Sm, Gd, Er, Yb, Y) were obtained. The compound (CH3OCH2CH2C5H4) Y(C5H5)2 (6) crystallized from THF. The central metal Y is coordinated to three cyclopentadienyl ring centroids and the ether oxygen forming a distorted tetrahedron. The average Y-C(eta5) bond distance and Y-O bond distance of 6 are 2.702 and 2.414 angstrom, respectively.
• Studies on organolanthanide complexes
  作者：Changtao Qian、Bing Wang、Daoli Deng、Guang Wu、Peiju Zheng

  DOI：10.1016/0022-328x(92)80081-8

  日期：1992.4

  (MeOCH2CH2C5H4)3Ln (Ln = La, Pr) complexes have been synthesized by reaction of LnCl3 with MeOCH2CH2C5H4Na in THF at room temperature. A single-crystal X-ray diffraction study shows that the complex (MeOCH2CH2C5H4)3Pr is monomeric in structure, and that the coordination number of the central Pr atom is 11. This is the first example of unsolvated monomeric La and Pr metallocene complexes with the largest possible coordination number of the metal.