tert-butyl-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]azanide;methanidyl(trimethyl)silane;oxolane;tetraphenylboranuide;yttrium(3+) | 902150-51-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tert-butyl-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]azanide;methanidyl(trimethyl)silane;oxolane;tetraphenylboranuide;yttrium(3+)
• CAS: 902150-51-0
• 化学式: C₂₄H₂₀B*C₂₆H₅₈N₄OSiY
• 分子量: 878.998
• InChiKey: GVZRUTLAGHKCCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.45
• 重原子数：
  58
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  四氢呋喃 、 [(N,N'-iso-propyl-N''-(CH2)2N(t-butyl)-1,4,7-triazacyclononane)Y(CH2Si(CH3)3)2] 、 N,N-dimethylanilinium tetraphenylborate 以 四氢呋喃 为溶剂， 以86%的产率得到tert-butyl-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]azanide;methanidyl(trimethyl)silane;oxolane;tetraphenylboranuide;yttrium(3+)
  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