[(N,N'-iso-propyl-N''-(CH2)2N(t-butyl)-1,4,7-triazacyclononane)Y(CH2Si(CH3)3)2] | 347163-24-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(N,N'-iso-propyl-N''-(CH2)2N(t-butyl)-1,4,7-triazacyclononane)Y(CH2Si(CH3)3)2]
• 英文别名: Tert-butyl-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]azanide;methanidyl(trimethyl)silane;yttrium(3+)
• CAS: 347163-24-0
• 化学式: C₂₆H₆₁N₄Si₂Y
• 分子量: 574.874
• InChiKey: XJHWCJMKBRRTOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.29
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  10.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  氘代四氢呋喃 、 [(N,N'-iso-propyl-N''-(CH2)2N(t-butyl)-1,4,7-triazacyclononane)Y(CH2Si(CH3)3)2] 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 氘代四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands:  Synthesis, Structure, and Thermal Decomposition Processes

  摘要：

  Yttrium and lanthanum dialkyl complexes with the isopropyl-substituted triazacyclononane-amide monoanionic ligands [iPr(2)TACN-(B)-NtBu] (B = (CH2)(2), L1; SiMe2, L2) are described. For Y, these were obtained by reaction of Y(CH2SiMe3)(2)(THF)(2) with HL, whereas for La in situ peralkylation of LaBr3(THF)(4) preceded reaction with HL. In C6D5Br solvent, reaction of LMR2 with [PhNMe2H][B(C6F5)(4)] results in rapid decomposition involving loss of propene from the ligand. This decomposition is prevented (Y) or retarded (La) in THF solvent. For yttrium, salts of the cations [LYR(THF)](+) were isolated and structurally characterized. ES-MS of these cations revealed facile desolvation. At increased nozzle voltages, fragmentation is observed with initial loss of SiMe4, followed by loss of propene. Thus decomposition is likely to involve initial cyclometalation of a ligand iPr group, followed by propene extrusion. Decomposition of [L2LaR(THF)(x)](+) in THF solution yields the dinuclear dication {[tBuN(Me2Si) N( C2H4)(2)N(C2H4) NiPr](2)La-2(THF)(2)}(2+), which was structurally characterized. Kinetic data of the decomposition suggest that the process involves initial THF dissociation.

  DOI：

  10.1021/om060278l
• 作为产物：
  描述：

  bis(tetrahydrofuran)tris(trimethylsilylmethyl)yttrium(III) 、 N-tert-butyl-2-(4,7-diisopropyl-[1,4,7]triazanon-1-yl)ethylamine 以 氘代苯 为溶剂， 生成 [(N,N'-iso-propyl-N''-(CH2)2N(t-butyl)-1,4,7-triazacyclononane)Y(CH2Si(CH3)3)2]
  参考文献：
  名称：

  具有连接的 1,4,7-三氮杂环壬烷-酰胺单阴离子辅助配体的中性和阳离子钇烷基络合物：合成和催化乙烯聚合

  摘要：

  制备了二烷基钇配合物[N,N'-R2-tacn-N”-(CH 2)2NBut]Y(CH2SiMe3) 2 (R = Me, Pri; tacn = 1,4,7-三氮杂环壬烷)；当用 [PhNMe2H][B(C6F5)4] 活化时，这些配合物形成阳离子烷基物质，它们是活性乙烯聚合催化剂。

  DOI：

  10.1039/b101012n

文献信息

• Neutral and cationic yttrium alkyl complexes with linked 1,4,7-triazacyclononane-amide monoanionic ancillary ligands: synthesis and catalytic ethene polymerisation
  作者：Sergio Bambirra、Daan van Leusen、Auke Meetsma、Bart Hessen、Jan H. Teuben

  DOI：10.1039/b101012n

  日期：——

  Yttrium dialkyl complexes [N,N′-R2-tacn-N″-(CH 2)2NBut]Y(CH2SiMe3) 2 (R = Me, Pri; tacn = 1,4,7-triazacyclononane) were prepared; when activated with [PhNMe2H][B(C6F5)4] these complexes form cationic alkyl species that are active ethene polymerisation catalysts.

  制备了二烷基钇配合物[N,N'-R2-tacn-N”-(CH 2)2NBut]Y(CH2SiMe3) 2 (R = Me, Pri; tacn = 1,4,7-三氮杂环壬烷)；当用 [PhNMe2H][B(C6F5)4] 活化时，这些配合物形成阳离子烷基物质，它们是活性乙烯聚合催化剂。
• Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands:  Synthesis, Structure, and Thermal Decomposition Processes
  作者：Sergio Bambirra、Auke Meetsma、Bart Hessen、Andries P. Bruins

  DOI：10.1021/om060278l

  日期：2006.7.1

  Yttrium and lanthanum dialkyl complexes with the isopropyl-substituted triazacyclononane-amide monoanionic ligands [iPr(2)TACN-(B)-NtBu] (B = (CH2)(2), L1; SiMe2, L2) are described. For Y, these were obtained by reaction of Y(CH2SiMe3)(2)(THF)(2) with HL, whereas for La in situ peralkylation of LaBr3(THF)(4) preceded reaction with HL. In C6D5Br solvent, reaction of LMR2 with [PhNMe2H][B(C6F5)(4)] results in rapid decomposition involving loss of propene from the ligand. This decomposition is prevented (Y) or retarded (La) in THF solvent. For yttrium, salts of the cations [LYR(THF)](+) were isolated and structurally characterized. ES-MS of these cations revealed facile desolvation. At increased nozzle voltages, fragmentation is observed with initial loss of SiMe4, followed by loss of propene. Thus decomposition is likely to involve initial cyclometalation of a ligand iPr group, followed by propene extrusion. Decomposition of [L2LaR(THF)(x)](+) in THF solution yields the dinuclear dication [tBuN(Me2Si) N( C2H4)(2)N(C2H4) NiPr](2)La-2(THF)(2)}(2+), which was structurally characterized. Kinetic data of the decomposition suggest that the process involves initial THF dissociation.