bis(2,6-dimethylphenoxy)tungsten(VI) chloride | 111465-07-7

• 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: bis(2,6-dimethylphenoxy)tungsten(VI) chloride
• 英文别名: WCl4{O-2,6-(CH3)2C6H3}2；WCl4(O-2,6-C6H3Me2)2
• CAS: 111465-07-7；157477-68-4；95340-22-0
• 化学式: C₁₆H₁₈Cl₄O₂W
• 分子量: 567.98
• InChiKey: PTTFBFLLKPSHNS-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  7.05
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis(2,6-dimethylphenoxy)tungsten(VI) chloride 、 (2,2-二甲基丙基)锂 以 四氢呋喃 、 正己烷 为溶剂， 以18%的产率得到WCl{O-2,6-MeC6H3}4
  参考文献：
  名称：

  Reaction courses for formation of early transition metal phenoxides

  摘要：

  The 1:1 and 1:2 reactions of TiCl4 with Me3SiO-2,6-(CH3)2C6H3 produced TiCl3[O-2,6-(CH3)2C6H3]2(THF)2 (1) and TiCL2[O-2,6-(CH3)2C6H3]2(THF)2 (2), respectively, bearing six-coordinated geometry around Ti. The compound 2 assumes the cis-geometry regarding the two phenoxy groups and THF is coordinated in the trans position of the phenoxy groups. Similarly, the 1:1 and 1:2 reactions of NbCl5 with the trimethylsilyl phenyl ether provided NbCl4[O-2,6-(CH3)2C6H3]2(THF) (7) and NbCl3[O-2,6(CH3)2C6H3]2(THF) (8), respectively, with octahedron structure. The THF molecule again locates in the trans position of a phenoxy group in both cases and the two phenoxy groups of 8 locate in the cis position. Tungsten mono-phenoxide, WCl5[O-2,6(CH3)2C6H3]2 (12), also has octahedron structure. In cases of tungsten-bis-phenoxides, WCl4[O-2,6-(CH3)2C6H3]2 (13) and WCl4[O-2,6-(i-C3H7)C6H3]2 (14), the former has trans structure while the latter has cis structure regarding the phenoxy groups. A unique square pyramidal geometry has been observed in the tetrakis(phenoxy) tungsten, WCl[O-2,6-(CH3)2C6H3]4 (16).

  DOI：

  10.1016/0022-328x(94)80111-8
• 作为产物：
  描述：

  (2,6-二甲基苯氧基)(三甲基)硅烷 、 六氯化钨 以 甲苯 为溶剂， 以60%的产率得到bis(2,6-dimethylphenoxy)tungsten(VI) chloride
  参考文献：
  名称：

  苯氧化钨的独特分子结构

  摘要：

  作为早期过渡金属-酚盐的一系列结构化学，已经确定了WCl5[2,6-(CH3)2C6H3O](1)和WCl4[2,6-(CH3)2C6H3O]2(2)的分子结构通过 X 射线衍射法。水晶数据：1；正交，空间群 Cmcm, a = 7.979 (3), b = 17.094 (4), c = 12.536 (2) A, V = 1709.7 (8) A3, Z = 4, Dc = 2.412 g cm−3, 2; 单斜, 空间群 C2/m, a = 17.615 (4), b = 7.188 (2), c = 8.396 (2) A, β = 119.93 (2)°, V = 921.3 (4) A3, Z = 2, Dc = 2.047 g cm−3。配合物1和2的分子对称性分别为C2v(mm)和C2h(2/m)；W-O-C（苯氧基）角在 1 中为 180°，在 2 中为 179°。这些是具有直

  DOI：

  10.1246/bcsj.65.1197

文献信息

• Synthesis and catalytic properties of W(OAr)2Cl2(CHCMe3)(OR2) and W(OAr)2Cl(CHCMe3)(CH2CMe3)(OR2)(Ar = 2,6-disubstituted phenyl; R = Et or Pri), new uni-component catalysts for metathesis of acyclic and cyclic olefins, with or without functional groups
  作者：Francoise Quignard、Michel Leconte、Jean-Marie Basset

  DOI：10.1039/c39850001816

  日期：——

  The synthesis of W(OAr)2Cl(CHR)(CH2R1)(OR22)(Ar = 2,6-disubstituted phenyl; R2= Et or Pri) illustrates one of the first examples of a well defined, Lewis acid free, homogeneous olefin metathesis catalyst, for which the activity and stereoselectivity can be governed by the nature of the aryloxide ligands and of the co-ordinated ether and which shows a wide range of potential applications.

  W（OAr）2 Cl（CHR）（CH 2 R 1）（OR 2 2）（Ar = 2,6-二取代苯基; R 2 = Et或Pr i）的合成说明了孔的第一个例子定义为无路易斯酸的均相烯烃复分解催化剂，其活性和立体选择性可以由芳基氧化物配体和配位醚的性质决定，并显示出广泛的潜在应用。
• Kanehisa, Nobuko; Kai, Yasushi; Kasai, Nobutami, Chemistry Letters, 1990, # 12, p. 2167 - 2170
  作者：Kanehisa, Nobuko、Kai, Yasushi、Kasai, Nobutami、Yasuda, Hajime、Nakayama, Yuushou、et al.

  DOI：——

  日期：——
• Quignard, Francoise; Leconte, Michel; Basset, Jean-Marie, Inorganic Chemistry, 1987, vol. 26, # 25, p. 4272 - 4277
  作者：Quignard, Francoise、Leconte, Michel、Basset, Jean-Marie、Hsu, Leh-Yeh、Alexander, John J.、Shore, Sheldon G.

  DOI：——

  日期：——
• KANEHISA, NOBUKO;KAI, YASUSHI;KASAI, NOBUTAMI;YASUDA, HAJIME;NAKAYAMA, YU+, CHEM. LETT.,(1990) N2, C. 2167-2170
  作者：KANEHISA, NOBUKO、KAI, YASUSHI、KASAI, NOBUTAMI、YASUDA, HAJIME、NAKAYAMA, YU+

  DOI：——

  日期：——