N-tert-butyl(4,7-dimethyl[1,4,7]triazanon-1-yl)dimethylsilylamine | 415692-42-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-tert-butyl(4,7-dimethyl[1,4,7]triazanon-1-yl)dimethylsilylamine
• 英文别名: Me2(1,4,7-triazacyclononane)(SiMe2)NH-t-Bu；Me2TACNSiMe2NH-t-Bu；N-[(4,7-dimethyl-1,4,7-triazonan-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
• CAS: 415692-42-1
• 化学式: C₁₄H₃₄N₄Si
• 分子量: 286.536
• InChiKey: QWRJWYNFYJKSKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-tert-butyl(4,7-dimethyl[1,4,7]triazanon-1-yl)dimethylsilylamine 以 正戊烷 为溶剂， 生成 [(Me2-1,4,7-triazacyclononane(Si(CH3)2)N-t-Bu)Y(CH2SiMe3)][B(C6F5)4]
  参考文献：
  名称：

  甲基取代的三氮杂环壬烷酰胺配体的稀土金属烷基配合物：配体变化和乙烯聚合催化

  摘要：

  制备了一系列具有通式[Me 2 TACN-（B）-NR] M（CH 2 SiMe 3）2（TACN = 1,4,7-三氮杂环壬烷，B =（CH 2）的稀土金属二烷基配合物2，SiMe 2 ; R = t Bu，sec Bu，n卜; M = Sc，Y，Nd，La）。对于M = Sc，也可以使用混合的单烷基一氯配合物。这些配合物的选定实例在结构上得到了表征，并显示出畸变的八面体环境中的金属。使用路易斯或布朗斯台德酸活化剂，可以将二烷基化合物转化为相应的单烷基阳离子，并通过NMR光谱对其进行表征。催化乙烯聚合的比较测试表明，催化剂活性受金属离子半径的影响最大，但是配体主链和取代方式的变化确实会影响其他因素，例如聚合物分子量和催化剂稳定性。具有中等大小的稀土金属钇的催化剂通常显示出最高的活性，但是其中一些催化剂会产生分子量分布较宽的聚乙烯，表明存在多点行为。从理论上讲，这可能是由于分子间配体加扰过

  DOI：

  10.1021/om060870a

文献信息

• Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands
  作者：Sergio Bambirra、Francesca Perazzolo、Steven J. Boot、Timo J. J. Sciarone、Auke Meetsma、Bart Hessen

  DOI：10.1021/om700919h

  日期：2008.2.1

  The synthesis of lanthanum dialkyl complexes with monoanionic ancillary ligands [L](-) is pursued by three different strategies: (a) in situ peralkylation of LaBr3(THF)(4) with 3 equiv of LiCH2SiMe3 followed by reaction with LH; (b) reaction of isolated La(CH2Ph)(3)(THF)(3) with LH; (c) stepwise salt metathesis on LaBr3(THF)(4). Methods (a) and (b) generally work well for triazacyclononane-amide and amidinate ligands, but are unsuitable for the sterically demanding beta-diketiminate [HC(MeCNAr)(2)]- (Ar = 2,6-iPr(2)C(6)H(3)) due to its high affinity for the Li cation and the sluggish reactivity of the diketimine. Nevertheless, the beta-diketiminate lanthanum dibenzyl complex [HC(MeCNAr)(2)]La(CH2Ph)(2)(THF) could be obtained by first reacting LaBr3(THF)(4) with K[HC(MeCNAr)(2)] to form [HC(MeCNAr)(2)]LaBr2(THF)(2) and subsequent reaction of this dibromide complex with 2 equiv of PhCH2K. When this reaction mixture is warmed, the product decomposes by H-abstraction from one of the diketiminate methyl groups and ligand redistribution, forming the coordination polymer [mu-eta(2):eta(1)-ArNC(Me)CHC(CH2)NAr](2)La[K(THF)(4)]}(infinity).
• Neutral and Cationic Alkyl and Alkynyl Complexes of Lanthanum:  Synthesis, Stability, and Cis-Selective Linear Alkyne Dimerization
  作者：Cornelis G. J. Tazelaar、Sergio Bambirra、Daan van Leusen、Auke Meetsma、Bart Hessen、Jan H. Teuben

  DOI：10.1021/om034403u

  日期：2004.3.1

  Neutral triazacyclononane-amide lanthanum dialkyl and dialkynyl complexes were synthesized and structurally characterized. A cationic triazacyclononane-amide lanthanum monoalkyl species was generated and found to be highly active (tof > 100 h(-1)) in the rare cis-selective catalytic linear dimerization of phenylacetylene.