trimethoxy(η5-2,4-cyclopentadien-1-yl)titanium | 12145-64-1

• 英文名称: trimethoxy(η5-2,4-cyclopentadien-1-yl)titanium
• 英文别名: η5-cyclopentadienyl titanium trimethoxide
• CAS: 12145-64-1
• 化学式: C₈H₁₄O₃Ti
• 分子量: 206.077
• InChiKey: RPEPCWNFJZNQBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  trimethoxy(η5-2,4-cyclopentadien-1-yl)titanium 、 erythro-2-[bis(2-hydroxyethyl)amino]-1,2-diphenyl-1-ethanol 以 四氢呋喃 为溶剂， 以97%的产率得到[[(1R,2S/1S,2R)[1,2-diphenylethanolato]-(1,1',1''-nitrilobis[ethanolato])-(3)-N,O,O',O'']-[1,2,3,4,5-η]cyclopenta-2,4-dien-1-yl]titanium
  参考文献：
  名称：

  Synthesis of new titanatranes containing organic substituents in the atrane fragment

  摘要：

  合成了钛酸胺 CpTi(OCH(CH3)CH2)3N (3)，反应物为 CpTiCl3 和 N(CH2CH(CH3)OH)3，在三乙胺存在下进行反应。CpTi(OMe)3 (8) 与 N(CH2CH2OH)2(CH2CHPhOH)、erythro-N(CH2CH2OH)2(CHPhCHPhOH) 和 N(CH2CH2OH)2(CH2CPh2OH) 反应，得到环戊二烯基钛酸胺 12–14。化合物 8 与 threo-N(CH2CH2OH)2(CHPhCHPhOH) 反应生成 threo-CpTi(OCH2CH2)2(OCHPhCHPh)N 和 threo-MeOTi(OCH2CH2)2(OCHPhCHPh)N 的混合物。后者产品的缓慢水解得到 threo-[Ti3O(OMe){(OCH2CH2)2−(OCHPhCHPh)N} 3]2，采用 X 射线衍射分析进行研究。化合物 3 和 12 的晶体结构也通过 X 射线衍射分析进行测定。这些配合物中钛的配位多面体为扭曲的三角双锥，赤道位置被三个氧原子占据，轴向位置则包含了氮原子和 Cp 基团。钛—氮距离（在两个独立的 3 分子中分别为 2.313(2)、2.291(2) Å，化合物 12 中为 2.271(2) Å）证实了存在 Ti←N 跨环相互作用。

  DOI：

  10.1007/s11172-006-0197-z

文献信息

• Titanium Complexes of Dialkanolamine Ligands: Synthesis and Structure
  作者：Kirill V. Zaitsev、Sergey S. Karlov、Anastasia A. Selina、Yu. F. Oprunenko、Andrei V. Churakov、Bernhard Neumüller、Judith A. K. Howard、Galina S. Zaitseva

  DOI：10.1002/ejic.200501154

  日期：2006.5

  with dialkanolamine and the reaction of TiCl 4 (THF) 2 with dialkanolamine/Et 3 N were also tested. Dimeric titanocane 16, [PhCH 2 N(CH 2 CH 2 O) 2 Ti-(OMe) 2 ] 2 , was obtained from the reaction of one equivalent of dialkanolamine 3 with CpTi(OMe) 3 , PhCH 2 N(CH 2 CH 2 O) 2 -Ti(OMenth) 2 (17) was prepared from the transalkoxylation reaction of 15 with two equivalents of menthol. The composition and structures

  标题化合物的合成，即。[RN(CH 2 CH 2 O)-(CHR 1 CR 2 R 3 O)]Ti(OiPr) 2 (13-15) 和[RN(CH 2 CH 2 O)-(CHR 1 CR 2 R 3 O) ] 2 Ti (18-28)，通过一或两当量的相应二烷醇胺 RN(CH 2 CH 2 OH)(CHR 1 CR 2 R 3 OH) (1-12) 与 Ti(OiPr) 4 的反应是报道。[RN(CH 2 CH 2 O)(CHR 1 CR 2 R 3 O)] 2 Ti的其他途径，例如Ti(CH 2 Ph) 4 与二烷醇胺的反应以及TiCl 4 (THF) 2 与还测试了二烷醇胺/Et 3 N。二聚钛烷16，[PhCH 2 N(CH 2 CH 2 O) 2 Ti-(OMe) 2 ] 2 ，由一当量二烷醇胺3与CpTi(OMe) 3 ，PhCH 2 N(CH 2 CH)反应获得2 O) 2 -Ti(OMenth)
• Synthesis of new substituted cyclopentadienyl titanium monomethoxydifluorides with BF3·OEt2 as fluorinating reagent and their use in syndiotactic polymerization of styrene
  作者：Xianmiao Qian、Jiling Huang、Yanlong Qian

  DOI：10.1016/j.jorganchem.2004.01.031

  日期：2004.5

  In bulk polymerization, the difference of activities between RCpTi(OMe)3/MAO and RCpTiF2(OMe)/MAO systems became small, where complexes 2e and 3e exhibited remarkably higher activities compared with their solution polymerization activities. The maximum polymerization activities were found at the polymerization temperature of 50 °C for most of the complexes. The influence of the polymerization time (tP)

  制备了五种取代的环戊二烯基三甲氧基钛络合物RCpTi（OMe）3（R = Me（2b），i Pr（2c），Me 3 Si（2d），烯丙基（2e），PhCH 2（2f））。通过使RCpTi（OMe）3与BF 3 OMe 2反应，六个RCpTiF 2（OMe）（R = H（3a），Me（3b），i Pr（3c），Me 3 Si（3d），烯丙基（3e）， PhCH 2（3楼））。当用甲基铝氧烷（MAO）活化时，苯乙烯溶液聚合中RCpTiF 2（OMe）体系的活性低于RCpTi（OMe）3体系，但RCpTiF 2（OMe）制备的聚合物具有更高的Mw和熔点比RCpTi（OMe）3高。两种体系均产生具有相似间同规整度的聚合物，其间规度为92.4-97.6％。在Cp-配体中引入取代基可提高聚合物的熔点，同时降低RCpTi（OMe）3 / MAO和RCpTiF 2（OMe）/ MAO系统的催化活性，其中活性顺序为RCp
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Fe: Org.Verb.A1, 2.1.2.3, page 23 - 24
  作者：

  DOI：——

  日期：——
• Menge; Verkade, Inorganic Chemistry, 1991, vol. 30, # 24, p. 4628 - 4631
  作者：Menge、Verkade

  DOI：——

  日期：——
• Syndiospecific polymerization of styrene catalyzed in situ by alkoxyl substituted half-sandwich titanocene and BF3·Et2O
  作者：Yanlong Qian、Hao Zhang、Xianmiao Qian、Jiling Huang、Chen Shen

  DOI：10.1016/s1381-1169(02)00412-0

  日期：2003.2

  A series of alkoxyl substituted half-sandwich titanocenes [CpTiCl2(OR), CpTi(OR)(3) and IndTiCl(2)(OR)] were treated with BF3.Et2O, which were employed in situ as catalyst precursors for the syndiospecific polymerization of styrene. When activated with methylaluminoxane (MAO), the catalyst precursors obtained in situ from the reaction of methoxyl substituted complexes [CpTiCl2(OMe), CpTi(OMe)(3)] and BF3.Et2O exhibited increased activities by factors of 2-4 compared with the corresponding original complexes, and provide improved syndiotacticity and higher activity up to a temperature of 70 degreesC. The catalyst precursor may consist of [CpTiClF2 and/or CpTiCl2F] and [CpTiF2(OMe).BF3 and/or CpTiF(OMe)(2).2BF(3)], through conversion from BF3-coordinated intermediates to fluorinated complexes, respectively, which has properties in polymerization similar to that of CpTiF3. But in the case of IndTiCl(2)(OR) and alkoxyl substituted half-sandwich titanocene with bulky OR groups, the activity considerably decrease probably due to the bulky group retarding the conversion from BF3-coordinated intermediates to fluorinated complexes, which can stabilize catalytic precursor and inhibit reduction from Ti(IV) to Ti(III). (C) 2002 Elsevier Science B.V. All rights reserved.