| 144718-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 144718-15-0
• 化学式: C₄H₁₀O*C₆H₅Cl₃O₃W
• 分子量: 489.436
• InChiKey: READXPDYBALQCY-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  氧代氯化钨 、 邻苯二酚 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Tungsten(VI) complexes with bidentate coordination of the catecholate monoanion. Synthesis of [W(O)Cl3(O,HOC6H4)·O(C2H5)2] and synthesis and crystal structure of [W(O)Cl(O2C6H4)(O,HOC6H4)·O(C2H5)2]

  摘要：

  Monomeric tungsten complexes with catechol coordinated bidentately as the monoanion [1,2-O,OH-C6H4]- have been prepared by reacting WOCl4 with catechol in diethyl ether solution. One equivalent of catechol leads to the formation of [W(O)Cl3(O, HO-C6H4).O(C2H5)2], while two equivalents of catechol leads to the formation of [W(O)Cl(O2-C6H4)(O,HO-C6H4).O(C2H5)2], for which the crystal structure has been determined. In the complex the tungsten atom is octahedrally coordinated to one oxo ligand [d(W-O) = 1.65(2) angstrom], one chloro ligand [d(W-Cl) = 2.325(7) angstrom] and one chelating catecholate dianion, [1,2-O2-C6H4]2- [d(W-O) = 1.91(1) angstrom and 1.95(1) angstrom], in a plane almost perpendicular to the tungsten oxo bond. A chelating catechol monoanion, [1,2-O,OH-C6H4]-, with the negatively charged oxygen atom [d(W-O) = 1.89(1) angstrom] trans to a catecholate oxygen atom and the hydroxy oxygen atom trans to the oxo ligand [d(W-O) = 2.35(2) angstrom], completes the inner coordination sphere. A diethyl ether molecule is strongly hydrogen-bonded to the hydroxy group with a short distance of 2.51(2) angstrom between the ether oxygen atom and the hydroxy oxygen atom.

  DOI：

  10.1016/s0277-5387(00)83159-9