methylenebis(6-tert-butyl-4-methylphenoxy-2-yl) dichlorotitanium(IV) | 118538-56-0

• 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: methylenebis(6-tert-butyl-4-methylphenoxy-2-yl) dichlorotitanium(IV)
• 英文别名: (2,2'-methylene-bis(6-t-butyl-4-methylphenoxide))titaniumdichloride；dichloro[2,2'-methylenebis(6-tert-butyl-4-methylphenoxy)]titanium；[(2,2'-methylenebis(6-tert-butyl-4-methylphenolato))TiCl2]；TiCl2(2,2'-methylenebis(6-tert-butyl-4-methylphenolato)]
• CAS: 118538-56-0
• 化学式: C₂₃H₃₀Cl₂O₂Ti
• 分子量: 457.276
• InChiKey: YFAPUSXPGKKWBH-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methylenebis(6-tert-butyl-4-methylphenoxy-2-yl) dichlorotitanium(IV) 在 Na/Hg 作用下， 以 甲苯 为溶剂， 以17%的产率得到bis(2,2'-methylene-bis(6-t-butyl-4-methylphenoxide))titanium
  参考文献：
  名称：

  钛，锆和钽的2,2'-亚甲基-双（6-叔丁基-4-甲基-苯氧化物）配合物的合成及结构表征

  摘要：

  摘要M（NMe 2）n（M = Ti，Zr，n = 4; Ta，n = 5）与2,2'-亚甲基双（6- t-丁基-4-甲基苯酚），HO的反应CH 2 OH在甲苯中产生Ti（OCH2 z.sbnd; O）2（1），Zr 2（η2OCH2O）2（μ，η1-OCH2 O）2（2）和Ta（O = CH 2 = O）（NMe 2）3（3）。化合物1和2也可以通过MCI 4与Li 2（O = CH 2 = O）复分解获得。用2当量还原（O = CH 2 = O）TiCl 2 的Na / Hg也通过配体重新分布生成1。Zr（NMe 2）4与I当量的反应。的HOCH2 ＝ OH的产率为（OCH2 ＝ O）Zr（NMe 2）2（4）。1当量的TaCl 5复分解。Li 2（O = CH 2 = O）的生成量为（O = CH 2 = O）TaCl 3（5）。（OCH2 ＝ O）Ta（NMe 2）2

  DOI：

  10.1016/s0277-5387(97)00058-2
• 作为产物：
  描述：

  {(mbp)TiCl2(thf)} 以 neat (no solvent) 为溶剂， 生成 methylenebis(6-tert-butyl-4-methylphenoxy-2-yl) dichlorotitanium(IV)
  参考文献：
  名称：

  Okuda, Jun; Fokken, Stefan; Kang, Hak-Chul, Chemische Berichte, 1995, vol. 128, # 3, p. 221 - 228

  摘要：

  DOI：

文献信息

• Complexes useful as active components in supported epoxidation catalysts
  申请人：Lyondell Chemical Technology, L.P.

  公开号：US09593134B2

  公开（公告）日：2017-03-14

  Method of preparing epoxidation catalysts are disclosed, including methods comprising reacting an inorganic siliceous solid with a metal complex of the formulas: wherein the variables are defined herein.

  公开了制备环氧化催化剂的方法，包括包含通过与以下公式的金属配合物反应的无机硅质固体的方法： 其中变量如本文所述定义。
• Unexpected Binuclear Bis(phenolato) Titanium (IV) {[(L)Ti(Ph)]₂(μ-OEt)₂} Assisted by Carbon−Oxygen Bond Cleavage and Alkali-Metal-Containing Titanium(III) Complexes [Ti(L)₂·M(solv)₂] (M = Li, Na, K; solv = THF, DME)
  作者：Dao Zhang

  DOI：10.1021/om700298f

  日期：2007.7.30

  According to the crystal structure, 2 and 3 are monomeric and tetrahedral, with boat-conformation ligands. The X-ray structure of 4 showed the complex to be dimeric, with titanium in a distorted pyramidal coordination geometry. The reduction of 1 with 1.0 equiv of LiBEt3H, excess Na/Hg, or 1.0 equiv of KC8 gave the titanium(III) salts [Ti(L)2·M(THF)2] (M = Li, 5; M = Na, 6) and [Ti(L)2·K(DME)2] (7), respectively

  钛配合物[（L）Ti（CH 2 Ph）2 ]（2）通过[[ L）TiCl 2 ]（L = 2,2'-亚甲基双（6-叔丁基-4-甲基苯酚））反应制备。 （1）与PhCH 2 MgCl在Et 2 O中的比率为1：2，产率为69％，而1与PhLi在相同条件下的反应得到的[（L）Ti（Ph）2 ]（3）小于40％的收率和出乎意料的稀有苯基醇盐桥接的化合物[（L）Ti（Ph）] 2（μ-OEt）2 }（4）在。9％的产率。根据晶体结构，2和3是单体和四面体，具有舟状配体。的X射线结构4表明该复合物是二聚，与钛在扭曲角锥形配位几何形状。用1.0当量的LiBEt 3 H，过量的Na / Hg或1.0当量的KC 8还原1，得到钛（III）盐[Ti（L）2 ·M（THF）2 ]（M = Li，5 ; M = Na，6）和[Ti（L）2 ·K（DME）2 ]（7）， 分别。通过单晶X射线分析确认了5和7的分
• Radical and Ring-Opening Polymerizations with Aryl-Substituted Methylene-Bridged Titanium Bisphenolates
  作者：Lihua Liu、Daniel Mendoza-Espinosa、Mauricio Quiroz-Guzmán、Arnold L. Rheingold、Tracy A. Hanna、Gobinda Saha、Liming Tang、Yanhui Chen、Megan Gilbert、Abhirup Dutta、Alexandru D. Asandei

  DOI：10.1021/acs.organomet.3c00053

  日期：2023.3.13

  were investigated in both the controlled radical polymerization (CRP) of styrene and the living ring-opening polymerization (LROP) of ε-caprolactone (ε-CL). Zn reduction of [L0−L4, L6]TiCl2 and [L2, L6]TiCpCl produces Ti(III)• metalloradicals, which initiate via radical ring opening of epoxide precursors and mediate CRPs by reversible endcapping of polymer radicals. A linear dependence of molecular weight

  一系列亚甲基桥联双酚配体，包括 2,2'-CH 2 (6- i Pr-C 6 H 3 -OH) 2 ( L0 ) 和 2,2'-CH 2 (4-CH 3 -6- t Bu-C 6 H 2 -OH) 2 ( L1 ), 芳基取代的L = CH Ar (4,6-di- t Bu-C 6 H 2 -OH) 2 ( Ar = C 6 H 5 -CH 2 - ( L2 ), 4-甲醇-C6 H 4 - ( L3 ), 3-MeO-C 6 H 4 - ( L4 ), 4-NO 2 -C 6 H 4 - ( L5 ), 2-MeO-5-Br-C 6 H 3 - ( L6 ), 4-Me-C 6 H 4 - ( L7 ), 4-CF 3 -C 6 H 4 - ( L8 ), 4-FC 6 H 4 - ( L9 )),各自的醛与 2,4-二叔-丁基苯酚，得到相应的 [ L ]TiCl 2 ( L0 − L4
• Facile Formation of Hexacyclic [Al ₃ O ₂ Cl] Aluminum and Alkoxide‐Bridged Titanium Complexes: Reactions of AlMe ₃ with [Ti(L)Cl ₂ ] [L = 2,2′‐Methylenebis(6‐ <i>tert</i> ‐butyl‐4‐methylphenolato)]
  作者：Dao Zhang

  DOI：10.1002/ejic.200601227

  日期：2007.7

  AbstractThe titanium dichloride complex [(L)TiCl2] [L = 2,2′‐methylenebis(6‐tert‐butyl‐4‐methylphenolato)] (1) reacted with trimethylaluminum (AlMe3) in a 1:2 ratio to give a trimetallic aluminum complex of the composition [(L)(AlMe2)3(μ‐Cl)] (2) with a symmetric six‐membered ring [Al3(μ2‐O)2(μ2‐Cl)] and a four‐coordinate aluminum center in the solid state. The reaction of 1 equiv. AlMe3 gave [(L)TiMeCl] (3), which could absorb O2 gas to afford the oxygen‐insertion product [(L)TiCl}2(μ‐OMe)2] (4) with a five‐coordinate metal center. Upon reaction of H2L with AlMe3, the binuclear, four‐coordinate adduct [(L)AlMe}2] (5) was formed. Complex 4 supported on MgCl2 and activated with aluminum alkyls reveals high catalytic activity for ethylene polymerization to produce polymers with molecular weight distributions of ca. 3.1. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
• Floriani, Carlo; Corazza, Fabio; Lesueur, William, Angewandte Chemie, 1989, vol. 101, p. 93 - 94
  作者：Floriani, Carlo、Corazza, Fabio、Lesueur, William、Chiesi-Villa, Angiola、Guastini, Carlo

  DOI：——

  日期：——