(O-methyl-p-tert-butyl-calix[4]arene)triphenylsiloxyvanadium(IV) | 918540-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (O-methyl-p-tert-butyl-calix[4]arene)triphenylsiloxyvanadium(IV)
• CAS: 918540-48-4
• 化学式: C₆₃H₇₀O₅SiV
• 分子量: 986.273
• InChiKey: RBYRBWQJXWBTKH-UHFFFAOYSA-K

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：

  1,3-二甲氧基-4-叔丁基杯芳烃 以 四氢呋喃 、 甲苯 为溶剂， 生成 (O-methyl-p-tert-butyl-calix[4]arene)triphenylsiloxyvanadium(IV)
  参考文献：
  名称：

  Vanadium calixarene complexes as molecular models for supported vanadia

  摘要：

  Reaction of dimethylated tert-butyl calix[4]arene, H(2)A(Me2), with O=VCl2(thf)(2) unexpectedly led to the isolation of Cl-V(IV)A(Me), 2, whose crystal structure was determined. Hence, one of the MeO-C bonds present in H(2)A(Me2) has been cleaved and one equivalent of HCl eliminated leaving three phenolate and one phenolether function to coordinate at the V centre. 2 smoothly reacts with O-2 to give O=V(V)A(Me), B, i.e. the chloride ligand has been replaced by a terminal oxo ligand with concomitant oxidation of the vanadium atom to the oxidation state +5. B crystallises isostructurally with 2; crystallisation of a mixture of 2 and B even leads to crystals that contain both compounds beside each other. However, when B was co-crystallised together with H(2)A(Me2), from acetonitrile a different structure with a partial cone conformation was obtained. The mechanism by which B is formed from 2 is discussed. To obtain information concerning the fate of the chloride ligand in 2, a derivative, Ph3SiO-V(IV)A(Me), 3, has been synthesised and investigated with respect to its behaviour in the presence of O-2: it reacts the same way as 2. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.02.045