| 170656-73-2

• CAS: 170656-73-2
• 化学式: C₁₉H₃₀O₃Ti
• 分子量: 354.325
• InChiKey: PRLVOYMQPWOFGP-OUMKEOLOSA-N

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

• 作为反应物：
  描述：

  二氟乙酸 、 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and reactivity of cyclopentadienyltitanium complexes of the polydentate alkoxide ligand cis-1,3,5-cyclohexanetrialkoxide

  摘要：

  Cis-1,3,5-cyclohexanetriol [C6H9(OH)(3)] reacts with eta(5)-(C(5)R(5))TiCl3 [R(5) = H-5, Me(5), (Me(3)Si)(H)(4), 1,3-(Me(3)Si)(2)(H)(3), (1,3-(t-Bu)(2)(H)(3)] in the presence of three molar equivalents of triethylamine, affording substituted cyclopentadienyltitanium cis-1,3,5-cyclohexanetrialkoxide complexes with an adamantane-type structure. The complex eta(5)-(C(5)Me(5))Ti(O3C6H9) is thermally stable to 220 degrees C in the solid state, and a benzene solution of the complex eta(5)-(1,3-t-Bu(2)C(5)H(3))Ti(O3C6H9) is stable to cleavage of the alkoxide ligand by three equivalents of H2O for more than 3 h. Attempts to cleave 1,3-t-Bu(2)C(5)H(4) from eta(5)-(1,3-t-Bu(2)C(5)H(3))Ti(O3C6H9) with electrophiles H+ and Br-2 are reported.

  DOI：

  10.1016/0277-5387(95)00012-h
• 作为产物：
  描述：

  Ti(1,3-(t)-Bu2C5H3)Cl3 、 1,3,5-环己烷三醇 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以62%的产率得到
  参考文献：
  名称：

  Synthesis and reactivity of cyclopentadienyltitanium complexes of the polydentate alkoxide ligand cis-1,3,5-cyclohexanetrialkoxide

  摘要：

  Cis-1,3,5-cyclohexanetriol [C6H9(OH)(3)] reacts with eta(5)-(C(5)R(5))TiCl3 [R(5) = H-5, Me(5), (Me(3)Si)(H)(4), 1,3-(Me(3)Si)(2)(H)(3), (1,3-(t-Bu)(2)(H)(3)] in the presence of three molar equivalents of triethylamine, affording substituted cyclopentadienyltitanium cis-1,3,5-cyclohexanetrialkoxide complexes with an adamantane-type structure. The complex eta(5)-(C(5)Me(5))Ti(O3C6H9) is thermally stable to 220 degrees C in the solid state, and a benzene solution of the complex eta(5)-(1,3-t-Bu(2)C(5)H(3))Ti(O3C6H9) is stable to cleavage of the alkoxide ligand by three equivalents of H2O for more than 3 h. Attempts to cleave 1,3-t-Bu(2)C(5)H(4) from eta(5)-(1,3-t-Bu(2)C(5)H(3))Ti(O3C6H9) with electrophiles H+ and Br-2 are reported.

  DOI：

  10.1016/0277-5387(95)00012-h