KTi(O(i-Pr))5 | 1061182-71-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: KTi(O(i-Pr))5
• 英文别名: KTi(isopropoxide)5；potassium;propan-2-olate;titanium(4+)
• CAS: 1061182-71-5
• 化学式: C₁₅H₃₅O₅Ti*K
• 分子量: 382.418
• InChiKey: DDULBNBERVXSJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.22
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  、 KTi(O(i-Pr))5 以 苯 为溶剂， 以91%的产率得到Ni[Ti(O(i-Pr))5]2
  参考文献：
  名称：

  Agrawal, Neetu; Singh, Anirudh, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 2007, vol. 46, # 12, p. 1938 - 1946

  摘要：

  DOI：
• 作为产物：
  描述：

  titanium isopropoxide 、 、 以 甲苯 为溶剂， 生成 KTi(O(i-Pr))5
  参考文献：
  名称：

  Metrical Comparison and Alkali Metal NMR Spectroscopic Investigation of a Congener Set of Alkali Metalated Titanium(IV) Isopropoxides: X-ray Structures of [NaTi(OCHMe2)5].infin. and [KTi(OCHMe2)5].infin.

  摘要：

  The congeners of the alkali metal substituted titanium isopropoxide compound, [LiTi(OCHMe(2))(5)](2) (a) have been identified as [NaTi(OCHMe(2))s](infinity) (2) and [KTi(OCHMe(2))(5)](infinity) (3). Both 2 and 3 are polymeric species, wherein the alkali metal acts as a bridge between discrete, mononuclear, trigonal-bipyramidal, titanium pentaisopropoxide moieties. The infinite linear chains formed in 2 consist of alternating five coordinate titanium moieties and tetrahedral sodium atoms. Compound 3 forms a nonlinear continuous chain with the potassium atoms in an extremely distorted trigonal-bipyramidal geometry. A comparison of the metrical data of 1-3 and literature data reveals that the bond distances and angles of 1-3 agree with expected values. Compound 2 crystallized from pentane at -25 degrees C in the space group P2(1)/a with a = 12.616(1) Angstrom, b = 10.078(4) Angstrom, c = 17.573(4) Angstrom, and beta = 103.20 degrees, for Z = 4. Least squares refinement of the model based on 3801 reflections (\F-o\ > 3.0 sigma(\F-o\)) converged to a final R(F) = 8.57%. Crystals of 3 formed in the space group P2(1)/n with a 12.213(2) Angstrom, b = 9.792(2) Angstrom, c = 18.442(3) Angstrom, and beta = 106.944(12)degrees, for Z = 4. Least squares refinement of the model based on 3083 reflections (\F-o\ > 3.0 sigma(\Fo\)) converged to a final R(F) = 4.2%. Alkali metal (Li-7, Na-23) NMR spectroscopy data reveal that, in solution, 1 exists as a dimer with rapid alkoxide ligand exchange, whereas, for 2, a tight ion pair exists between Na+ and the Ti(OCHMe(2))(5)(-).

  DOI：

  10.1021/ic00127a030

文献信息

• Novel ionogenic heterometal alkoxide derivatives
  作者：Michael Veith、Sanjay Mathur、Volker Huch

  DOI：10.1039/a705345b

  日期：——

  First examples of hydrocarbon soluble heterometal cation–anion systems containing metal alkoxide clusters as isolated ions, are reported.

  报道了含有金属醇盐簇作为孤立离子的烃溶性异金属阳离子-阴离子系统的第一个例子。