[Ti(μ-neopentoxide)(neopentoxide)3]2 | 191981-82-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [Ti(μ-neopentoxide)(neopentoxide)3]2
• 英文别名: [Ti(μ-neopentyloxy)(neopentyloxy)3]2；[Ti(μ-OCH2C(CH3)3)(OCH2C(CH3)3)3]2；[Ti(μ-ONep)(ONep)3]2；2,2-dimethylpropan-1-olate;titanium(4+)
• CAS: 191981-82-5
• 化学式: C₄₀H₈₈O₈Ti₂
• 分子量: 792.894
• InChiKey: HIPOHJHOIVFMEG-UHFFFAOYSA-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：

  [Ti(μ-neopentoxide)(neopentoxide)3]2 以 水 为溶剂， 生成 dioxide titanium
  参考文献：
  名称：

  用于生产pH依赖的第4组纳米陶瓷形态的可比的双核第4组新五氧化碳前体的系列

  摘要：

  一系列相似结构的第4组醇盐用于研究在不同pH溶剂热（SOLVO）条件下生成的最终陶瓷纳米材料上的阳离子效应。[Ti（μ-ONep）（ONep）3 ] 2（1，ONep = OCH 2 C（CH 3）3）和{[H] [（μ-ONep）3 M 2（ONep）5（OBu t）]}其中M = Zr（2）和Hf（3，OBu t = OC（CH 3）3）是通过M（OBu t）4的反应实现的（M = Ti，Zr，Hf）和H-ONep。的结晶1从导致的隔离PY钛[Ti（μ-ONEP）（ONEP）3 ] 2（μ-PY）（1A），而溶解2或3中得到的py {（μ 3 -O）（μ 3 -OBu t）[（μ-ONep）M（ONep）2 ] 3 } M = Zr（2a）和Hf（3a）。结构相似的同类组1 - 3被用来研究在高（10M KOH），低溶剂热条件下的所得的纳米材料的变化（浓（水溶液）HI），和中性（H 2

  DOI：

  10.1021/ic101205d
• 作为产物：
  描述：

  新戊醇 、 titanium(IV)isopropoxide 以 甲苯 为溶剂， 以72%的产率得到[Ti(μ-neopentoxide)(neopentoxide)3]2
  参考文献：
  名称：

  Boyle, Timothy J.; Alam, Todd M.; Mechenbier, Eric R., Inorganic Chemistry, 1997, vol. 36, # 15, p. 3293 - 3300

  摘要：

  DOI：

文献信息

• Controlled Synthesis of a Structurally Characterized Family of Sterically Constrained Heterocyclic Alkoxy-Modified Titanium Alkoxides
  作者：Timothy J. Boyle、Robin M. Sewell、Leigh Anna M. Ottley、Harry D. Pratt、Christopher J. Quintana、Scott D. Bunge

  DOI：10.1021/ic0618798

  日期：2007.3.1

  For 1, each Ti was octahedrally (Oh) bound by three terminal ONep ligands, one bidentate bridging OTHF ligand (muc-OTHF), and an oxygen from the other muc-OTHF ligand. For the OTPM derivatives, the product was identified as [(ONep)3Ti(mu-OTPM)]2 (2). For this ligand, the soft S atom does not bind to the Ti but the O atom does act as a bridge between the two trigonal bipyramidal bound Ti metal centers

  [Ti（mu-ONep）（ONep）3] 2（ONep = OCH2C（CH3）3）与一系列杂环甲醇衍生物[四氢糠醇（H-OTHF），噻吩甲醇（H-OTPM）或2-吡啶基甲醇（H-OPy）-统称为H-OR *]导致分离出新的OR *-取代的钛醇盐前体家族。与H-OTHF反应的初始化学计量无关，单取代的双核物质被分离为[（ONep）3Ti（muc-OTHF）] 2（1）。对于1，每个Ti都被三个末端ONep配体，一个双齿桥接OTHF配体（muc-OTHF）和来自另一个muc-OTHF配体的氧八面体（Oh）结合。对于OTPM衍生物，将产物鉴定为[（ONep）3Ti（mu-OTPM）] 2（2）。对于这种配体，软的S原子不与Ti结合，但是O原子确实充当了两个三角形双锥体结合的Ti金属中心之间的桥梁。OPy系统产生的（OPy）2Ti（OR）2与OR和所使用的化学计量无关[OR = ONep（3），
• Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters
  作者：Timothy J. Boyle、Judith M. Segall、Todd M. Alam、Mark A. Rodriguez、Jessica M. Santana

  DOI：10.1021/ja0202309

  日期：2002.6.1

  The chemical interconversions observed for a novel family of trihydroxymethyl ethane (THME-H-3) ligated Sn(II) compounds have been determined using single-crystal X-ray and Sn-119 NMR experiments. (mu-THME)(2)Sn-3 (1) was isolated from the reaction of 3 equiv of [Sn(NR2)(2)](2) (R = SiMe3) with 4 equiv of THME as a unique trinuclear species capped above and below the plane of Sri atoms by two THME ligands. Upon reaction with "Sn(NR2)(2)", compound 1 rearranged to yield another novel molecule [(mu-THME)Sn2-(NR2)](2) (2). Compound 2 could also be formed directly from the stoichiometric mixture of THME-H-3 and [Sn(NR2)(2)](2). Further studies revealed that I would also rearrange in the presence of Sn(OR)(2) to form [(mu-THME)Sn-2(mu-OR)](2) [OR = OMe (3), OCH2Me (4), OCH2CH(Me)CH2CH3 (5), OCH2CMe3 (6, ONep), OC6H5 (7, not structurally characterized), OC6H4Me-3 (8), OC6H4Me-2 (9), OC6H3(Me)(2)-2,6 (10), OC6H3(CHMe2)(2)-2,6 (11). Additionally, 3-11 could by synthesized from the reaction of 2 and the appropriate H-OR. Sn-119 solution NMR studies of 2-11, in THF-d(8) indicate that an equilibrium between the parent complex and its disassociation products (1 and the free parent Sn alkoxy or amide precursor) exists at room temperature. This is a likely reason behind the ease of interconversion observed for 1. The generality of this exchange was further verified through the reaction of 1 with [Ti(mu-ONep)(ONeP)(3)](2), which led to the isolation of (mu- ONeP)(2)Sn-3(mu-THME)(2)Ti(ONeP)(2) (12). For 12, the solid-state structure was maintained in solution with no indication of an equilibrium.
• Boyle, Timothy J.; Alam, Todd M.; Tafoya, Cory J., Inorganic Chemistry, 1999, vol. 38, # 10, p. 2422 - 2428
  作者：Boyle, Timothy J.、Alam, Todd M.、Tafoya, Cory J.、Mechenbier, Eric R.、Ziller, Joseph W.

  DOI：——

  日期：——