thallium(I) hexafluoro-tert-butoxide | 220836-24-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: thallium(I) hexafluoro-tert-butoxide
• CAS: 220836-24-8
• 化学式: C₄H₃F₆O*Tl
• 分子量: 385.441
• InChiKey: HDUMVCGSYZBUIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.06
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  aluminum (III) chloride 、 thallium(I) hexafluoro-tert-butoxide 以 甲苯 为溶剂， 反应 16.0h， 以84.9%的产率得到
  参考文献：
  名称：

  WEAKLY COORDINATING ANIONS CONTAINING POLYFLUOROALKOXIDE LIGANDS

  摘要：

  公开号：

  EP1025110B1
• 作为产物：
  描述：

  1,1,1,3,3,3-六氟-2-甲基-2-丙醇 、 thallium (I) ethoxide 以 正戊烷 为溶剂， 以80%的产率得到thallium(I) hexafluoro-tert-butoxide
  参考文献：
  名称：

  Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes

  摘要：

  A new class of molybdenum alkylidenes has been prepared where the alkylidene is tethered to an imido ancillary ligand. The amine required for the synthesis is accessible in 38% yield in live steps from 1,3-diisopropylbenzene. The amine is then installed to generate the tethered alkylidene bis(triflate) complex, which was structurally characterized as its DME adduct. The triflates are replaced by hexafluoro-tert-butoxide groups using the thallium salt of the alkoxide, and the bis(alkoxide) was characterized as its quinuclidine adduct. For comparison, an alkylidene bis(alkoxide) was prepared without the tether and having a formula similar to that of the tethered system. The structures from X-ray diffraction and NMR spectroscopy of the two complexes with and without the tether but with similar formulas are compared. The tether has the apparent effect, judging from J(CH) couplings in the alkylidene and angles in the solid-state structure, of reducing the strength of the alpha-agostic interaction. Four complexes were structurally characterized during this study: Mo[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=](DME)(OTf)(2), Mo(OBuF6t)(2)(quin)-[=N-2,4-(Pr2C6H2)-C-i-2-CH2CH2CMe2CH=], Mo[N(2,4-Pr-2(i)-6-MeC6H2)](2)(neopentyl)(2), and Mo(OBuF6t)(2)(quin)-[N(2,4-Pr-2(i)-6-MeC6H2)] [=C(H)Bu-t].

  DOI：

  10.1021/om800650v