tetrakis[(1S-endo)-(-)-borneoxy] titanium(IV)

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: tetrakis[(1S-endo)-(-)-borneoxy] titanium(IV)
• 英文别名: [Ti((1S-endo)-(-)-borneoxo)4]；Ti(l-borneol)4；Ti(BornO)4；titanium(4+);(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olate
• 化学式: C₄₀H₆₈O₄Ti
• 分子量: 660.858
• InChiKey: MSUIKMDHRMOEOI-SGRNLROYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.24
• 重原子数：
  45
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrachlorobis(tetrahydrofuran)titanium(IV) 、 tetrakis[(1S-endo)-(-)-borneoxy] titanium(IV) 以 四氢呋喃 、 甲苯 为溶剂， 以90%的产率得到[Ti((1S-endo)-(-)-borneoxo)2(Cl2(thf)2]
  参考文献：
  名称：

  Polymerization of ε-caprolactone using bulky alkoxo-titanium complexes and structural analysis of [Ti(OBorneoxo)2Cl2(thf)2]

  摘要：

  A variety of bisalkoxo titanium dichloride THF adducts [Ti(OR)(2)Cl-2(thf)(2)] {OR = adamantanoxo (9), (1R,2S,5R)-(-)-menthoxo (10), (1S-endo)-(-)-borneoxo (11)} have been prepared and characterized by spectroscopic techniques. The molecular structure of It has been determined by single-crystal X-ray diffraction studies. The parent Lewis acid bisalkoxo titanium dichloride derivatives and related alkoxo complexes [Ti(OR)(2)(OPri)(2)](2) have been tested as initiators in ring-opening polymerization of epsilon-caprolactone and L-lactide. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.03.019
• 作为产物：
  描述：

  titanium(IV) isopropylate 、 冰片 以 二氯甲烷 为溶剂， 反应 6.0h， 以94%的产率得到tetrakis[(1S-endo)-(-)-borneoxy] titanium(IV)
  参考文献：
  名称：

  Synthesis and characterization of homoleptic titanium bulky alkoxo complexes and their application in 1-octene epoxidation

  摘要：

  A new series of titanium alkoxo complexes [Ti(OR)(4)] (1-8) have been synthesized by the alcoholysis reaction of Ti((OPr)-Pr-i)(4) with the corresponding alcohol (ROH = Adamantanol, (1R,2S,5R)-(-)-menthol, 1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose, 1,2:3,4-di-O-isopropylidene-alpha-D-galactopyranose, (1R)-(-)-myrtenol, 1,2:5,6-Di-O-cyclohexylidene-alpha-D-glucofuranose, (1S-endo)-(-)-borneol and (-)-sclareol). These homoleptic alkoxo titanium (IV) complexes have been characterized by spectroscopic and electrochemical techniques. In addition, they have been tested in the epoxidation reaction of 1-octene with ethylbenzene hydroperoxide as oxidant; obtaining yields of up to 90% and selectivity values of 50%. The conversion profile of EBHP was found to depend on the amount of titanium and on the chemical environment of titanium sites. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.05.029

文献信息

• Synthesis and characterization of cyclopentadienyl/alkoxo titanium dichlorides: structural analysis of monocyclopentadienyl titanium dichlorides with ligands derived from menthol and borneol
  作者：Yolanda Pérez、Sonia Morante-Zarcero、Isabel del Hierro、Isabel Sierra、Isabel López-Solera、Magda Monari、Mariano Fajardo、Antonio Otero

  DOI：10.1016/j.jorganchem.2004.08.002

  日期：2004.11

  A variety of monocyclopentadienyl alkoxo titanium dichloride and bisalkoxo titanium dichloride complexes have been prepared and characterized by spectroscopic techniques. The titanium derivatives containing both cyclopentadienyl and various alkoxo ligands [Ti(η5-C5H5)(OR)Cl2] (1–5) have been synthesized from the reaction of [Ti(η5-C5H5)Cl3] with 1 equivalent of the corresponding alcohol in THF in the

  已经制备了多种单环戊二烯基烷氧基二氯化钛和双烷氧基二氯化钛配合物，并通过光谱技术对其进行了表征。含两个环戊二烯基和各种烷氧配体的钛衍生物钛[Ti（η 5 -C 5 H ^ 5）（OR）氯2 ]（1 - 5）从的反应已被合成钛[Ti（η 5 -C 5 H ^ 5） CL 3 ]与1个当量的三乙胺的存在下（ROH =金刚烷醇，1在THF中相应的醇- [R，2小号，5 - [R - （ - ） -薄荷醇，1个小号-内-（-）-冰片，顺式-1,3-（-）-亚苄基甘油，1,2：3,4-二-O-异亚丙基-α-d-吡喃半乳糖）。所述bisalkoxo二氯化钛衍生物[的TiCl 2（OR）2 ]（6 - 10）已经由钛之间的再分配反应制备（OR）4种TiCl 4化合物6 - 8（OR = Adamantanoxy，（1 - [R，2小号， 5 R）-（-）薄荷氧基，（1 S-内氧基）-（-）-乙氧基）并通过[Ti（OR）2（OPr
• Chiral derivatives of titanium with terpene alcohols
  作者：Yu. S. Matveev、L. L. Frolova、N. A. Kataeva、A. V. Kuchin

  DOI：10.1134/s1070363207070109

  日期：2007.7

  A series of substituted alkoxy compounds of titanium were prepared by reactions of titanium isopropylate with 1-menthol, 1-borneol, (+/-)-isoborneol, and (-)-trans-3-hydroxymyrtanol. The specific rotation of the alcoholates was shown to be an additive function of the number of the terpene ligands. For titanium bornylates, the optical activity is a linear function of the degree of substitution. For trans-3-hydroxymyrtanol derivatives, an inversion of the optical rotation angle is observed along with an additive dependence of the optical activity on the degree of substitution.