Ti{2,6-(i-Pr)2C6H3O}4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ti{2,6-(i-Pr)2C6H3O}4
• 英文别名: tetrakis(2,6-diisopropylphenolato)titanium；2,6-Di(propan-2-yl)phenolate;titanium(4+)
• 化学式: C₄₈H₆₈O₄Ti
• 分子量: 756.946
• InChiKey: GWLYXEZHXKUGKZ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  12.03
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  Ti{2,6-(i-Pr)2C6H3O}4 在 sodium amalgam 、 THF 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  Durfee, Loren D.; Latesky, Stanley L.; Rothwell, Ian P., Inorganic Chemistry, 1985, vol. 24, # 26, p. 4569 - 4573

  摘要：

  DOI：
• 作为产物：
  描述：

  丙泊酚 以 四氢呋喃 、 乙醚 、 苯 为溶剂， 生成 Ti{2,6-(i-Pr)2C6H3O}4
  参考文献：
  名称：

  三（2,6-二异丙基苯酚）钛（IV）二氢二有机基硼酸盐：合成和结构

  摘要：

  三（2,6-二异丙基苯酚）氯化钛（IV）与碱金属二氢二有机基硼酸盐 M（H2BR2）（M = Li，K；R = Me，C6H11，CMe3；BR2 = BC5H10，BC8H14）的反应导致了相应的二氢二有机硼酸钛。然而，在几乎所有情况下，也会产生副产物，例如（2,6-二异丙基苯酚）二有机基硼烷、三有机基硼烷、二有机基硼烷、乙硼烷和四（2,6-二异丙基苯酚）钛 (IV)。(2,6-iPr2C6H3O)3Ti(H2BR2) 化合物也是甲基三（2,6-二异丙基苯酚）钛与儿茶酚硼烷相互作用的产物。除了生成三（2,6-二异丙基苯酚）儿茶酚硼钛（IV）外，还生成了 B-甲基儿茶酚硼烷。二氢-9-环辛基硼酸钾与 2,6-双（2，2-二叔丁基-2-羟乙基）吡啶二氯化钛（LTiCl2）生成复合物LTi（H2BC8H14）2。与 (2,6-iPr2C6H3O)3TiH2BC8H14 和相应的二氢化双（环己基）硼酸钛相比，该化合物没有表现出激动的

  DOI：

  10.1002/ejic.201001108

文献信息

• Bulky metal aryloxides, arylamides, and sulphur and phosphorus analogues. Part 1. Synthetic and chemical studies of titanium and zirconium aryloxides
  作者：Alan W. Duff、Rose A. Kamarudin、Michael F. Lappert、Reginald J. Norton

  DOI：10.1039/dt9860000489

  日期：——

  complexes are of types [TiCl(OR)2}n] and [Ti(η-C5H5)2(OR)]; the ZrIII complexes are of seven types: [ZrCl2(OR)2] and [Zr(η-C5H5)2(OR)X], with X = OR, Cl, NMe2, OMe, OC(O)NMe2, or N(Ph)C(O)NMe2; the new lithium aryloxides have formula [Li(OR)(OEt2)]n. Most of the results relate to the ligands 2,6-Me2C6H3O–, 2,6-Pri2C6H3O–, 2,6 But2C6H3O–, 4-Me-2,6-But2C6H2O–, 2,4,6-But3C6H2O–, 3,5-But2C6H3O and 2,4-But2C6H3O–

  描述了Ti IV，Ti III，Zr IV和Li的几种芳基氧化物（OR​​）的合成和表征。Ti IV的有八类：[Ti（OR）4 ]，[TiCl 2（OR）2 ]，[TiCl 2（OR）2（thf）2 ]，[Ti（NMe 2）2（OR）2 ]，钛[Ti（OME）2（OR）2 ]，[的TiCl（OR'）（OR）2 ]，[的TiCl（R'）（OR）2 ]和[的TiCl（η-C 5 H ^ 5） （或）2]（R'＝烷基，thf ＝四氢呋喃）；在Ti III复合物的类型[的TiCl（OR）2 } Ñ ]和钛[Ti（η-C 5 H ^ 5）2（OR）]; Zr的III络合物七种类型的：[的ZrCl 2（OR）2 ]和[Zr的（η-C 5 H ^ 5）2（OR）X]，其中X = OR，氯，NME 2，青梅，OC（O ）NMe 2，或N（Ph）C（O）NMe 2；新的芳氧基锂具有式[Li（OR）（OEt
• Low-Coordinated Titanium(III) Alkyl-Molecular and Surface-Complexes: Detailed Structure from Advanced EPR Spectroscopy
  作者：Florian Allouche、Daniel Klose、Christopher P. Gordon、Anton Ashuiev、Michael Wörle、Vidmantas Kalendra、Victor Mougel、Christophe Copéret、Gunnar Jeschke

  DOI：10.1002/anie.201806497

  日期：2018.10.26

  The structure of paramagnetic surface species is notoriously difficult to determine. For TiIII centers related to Ziegler–Natta catalysis, we demonstrate here that detailed structural information can be obtained by advanced EPR spectroscopy and DFT computations, benchmarked on molecular analogs. The hyperfine sublevel correlation (HYSCORE) spectra obtained after reaction with 13C‐labeled ethylene provides

  众所周知，顺磁性表面物质的结构很难确定。对于与齐格勒-纳塔催化有关的Ti III中心，我们在这里证明可以通过先进的EPR光谱学和DFT计算（以分子类似物为基准）获得详细的结构信息。与13 C标记的乙烯反应后获得的超细亚水平相关（HYSCORE）光谱提供了有关与Ti III的第一个配位球中的质子偶联以及显着的13 C超细偶联的信息，从而允许对表面物质进行结构分配。
• Polynuclear Magnesium and Magnesium−Titanium Species. Syntheses and Crystal Structures of [Mg₄(μ₃,η²-ddbfo)₂(μ,η²-ddbfo)₂(μ,η¹-ddbfo)₂(η¹-ddbfo)₂], [Mg₄(μ₃-OMe)₂(μ,η²-ddbfo)₂(μ,η¹-ddbfo)₂(η¹-ddbfo)₂(CH₃OH)₅], and [Mg₄(μ₃,η²-thffo)₂(μ,η²-thffo)₂(μ,η¹-thffo)₂{μ-OTi(DIPP)₃}₂] Aggregates
  作者：Piotr Sobota、Józef Utko、Katarzyna Sztajnowska、Jolanta Ejfler、Lucjan B. Jerzykiewicz

  DOI：10.1021/ic990542l

  日期：2000.1.1

  [Mg4(mu3-OMe)2(mu,eta2-ddbfo)2(mu,eta1-ddbfo)2(eta1-ddbfo)2(CH3OH)5] x CH3OH x THF (2). During this reaction one of the two five-coordinate MgO5 centers in 1 is completed by a methanol molecule and becomes octahedral in 2. Species 2 belongs to the P2(1/n) monoclinic space group, with a = 13.323(3) A, b = 20.768(4) A, c = 27.584(6) A, beta = 104.26(3) degrees , and Z = 4. Compound [Mg4(mu3,eta2-thffo)2(mu,zeta2-thffo)2(mu

  已经合成了具有螯合的烷氧基配体的四核镁配合物，目的是研究能够结合TiX4的配位不饱和镁位点（X = Cl，OR），这是在聚合催化剂中形成活性中心所必需的类型。镁化合物[Mg4（mu3，eta2-ddbfo）2（mu，eta2-ddbfo）2（mu，eta1-ddbfo）2（eta1-ddbfo）2] x 2CH2Cl2（1）（ddbfo = 2,3-dihydro-通过MgBu2与ddbfoH在二氯甲烷中的反应制备2,2-二甲基-7-苯并呋喃氧化物。配合物1以中心对称的四核形式存在，具有两种不同类型的镁中心，分别对应于八面体MgO6和三角双锥体MgO5几何形状。化合物1为单斜晶系，空间群为P2（1 / c），a = 12.053（2）A，b = 13.323（3）A，c = 17.069（3）A，beta = 98.50（3）度，Z = 4。1与甲醇在四氢呋喃（THF）中的反应得到化合物[
• Barium and titanium aryl oxides as precursors for the preparation of thin-film oxides. The effect of bombardment by O₂⁺
  作者：Tomás R. Belderraín、Juan P. Espinós、Asunción Fernández、Agustín R. González-Elipe、Dietmar Leinen、Angeles Monge、Margarita Paneque、Caridad Ruiz、Ernesto Carmona

  DOI：10.1039/dt9950001529

  日期：——

  A set of barium aryl oxides of composition [Ba(OC(6)H(2)Bu(2)(t)-2,6-X-4)(2)(thf)(n)] (X = H 1, Me 2, OMe 3 or Bu(t) 4; thf = tetrahydrofuran) has been prepared together with the related adducts [Ba(OC(6)H(2)Bu(2)(t) - 2.6-X-4)(2)P(NMe(2))(3)O}(2)] (X = H 5 or Me 6), which can be obtained by treating compounds 1 and 2 with neat P(NMe(2))(3)O respectively. X-Ray studies showed that 6 has a distorted-tetrahedral structure, with the two Ba-O bonds to the aryl oxide ligands somewhat shorter than those to the P(NMe(2))(3)O groups [2.414(8) vs. 2.579(8) Angstrom]. Samples of complex 4 and [Ti(OC6H3Pr2i-2,6)(4)], respectively, and a third homogeneous sample obtained by mixing equimolar amounts of these have been subjected to bombardment by Ar+ and O-2(+) ions of relatively low energy (3.5 keV) and the ensuing transformation investigated by X-ray photoelectron spectroscopy. No significant variation of the C/M ratio was observed when employing Ar+ ions, but O-2(+) produced a remarkable decrease in the carbon content which leads eventually to the formation of inorganic compounds, BaCO3, TiO2 and BaTiO3, respectively, for the three samples. Action of oxygen plasma on the titanium aryl oxide did not result in a marked decrease in the C/M ratio, but it produced instead high concentrations of carbon- and oxygen-containing species.
• Minhas, Ravinder; Duchateau, Robbert; Gambarotta, Sandro, Inorganic Chemistry, 1992, vol. 31, # 24, p. 4933 - 4938
  作者：Minhas, Ravinder、Duchateau, Robbert、Gambarotta, Sandro、Bensimon, Corinne

  DOI：——

  日期：——