(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-2H))(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-1H))samarium(III) | 1274847-42-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-2H))(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-1H))samarium(III)
• CAS: 1274847-42-5
• 化学式: C₂₈H₃₅N₁₀Sm
• 分子量: 662.013
• InChiKey: AAWBUMDUHAESSN-UELUQLDOSA-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：

  四氢呋喃 、 tetrakis(dimethylamido)titanium(IV) 、 (1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-2H))(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-1H))samarium(III) 以 四氢呋喃 为溶剂， 以66%的产率得到[Sm(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-2H))(THF)(1,9-bis(2-pyrolyl)-2,5,8-triazanona-1,8-diene(-3H))Ti(NMe2)2]
  参考文献：
  名称：

  Heterobimetallic Samarium(III) and Titanium(IV) Complexes with Bifunctional Catalytic Properties

  摘要：

  Reaction of the bis-ligand-chelated samarium complex [Sin (Hbptd)(H(2)bptd)1 (1; H(3)bptd = (2-pyrroly1)-2,5,8-triazanon a-1,8-diene), in which a pyrrolyl ring is dangling and metal-free, with Ti(NMe2)(4) yielded the heterometallic complex [Sm(Hbptd)(THF) (bptd)Ti(NMe2)(2)] (2). Treatment of the H3bptd ligand with 1 equiv of Ti(NMe2)(4) gave the titanium amido complex [Ti(bptd)(NMe2)] (3). Complexes 2 and 2; were able to catalyze the hydroamination of phenylacetylene with 2,4-dichloroaniline and 4-methoxyaniline, and high regioselectivities were observed for the two amines. Both 1 and 2 were active catalysts for the ring-opening polymerization of epsilon-caprolactone. 2 showed higher activity for the polymerization reactions, due to a decrease in the coordination number of the samarium atom (from 9 in 1 to 8 in 2) by sharing its ligand with the titanium center.

  DOI：

  10.1021/om1010935
• 作为产物：
  描述：

  tris(bis(trimethylsilyl)amido)samarium(III) 、 (HNC4H3-2-CH=N(CH2)2)2NH 以 四氢呋喃 为溶剂， 以76%的产率得到(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-2H))(1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene(-1H))samarium(III)
  参考文献：
  名称：

  Heterobimetallic Samarium(III) and Titanium(IV) Complexes with Bifunctional Catalytic Properties

  摘要：

  Reaction of the bis-ligand-chelated samarium complex [Sin (Hbptd)(H(2)bptd)1 (1; H(3)bptd = (2-pyrroly1)-2,5,8-triazanon a-1,8-diene), in which a pyrrolyl ring is dangling and metal-free, with Ti(NMe2)(4) yielded the heterometallic complex [Sm(Hbptd)(THF) (bptd)Ti(NMe2)(2)] (2). Treatment of the H3bptd ligand with 1 equiv of Ti(NMe2)(4) gave the titanium amido complex [Ti(bptd)(NMe2)] (3). Complexes 2 and 2; were able to catalyze the hydroamination of phenylacetylene with 2,4-dichloroaniline and 4-methoxyaniline, and high regioselectivities were observed for the two amines. Both 1 and 2 were active catalysts for the ring-opening polymerization of epsilon-caprolactone. 2 showed higher activity for the polymerization reactions, due to a decrease in the coordination number of the samarium atom (from 9 in 1 to 8 in 2) by sharing its ligand with the titanium center.

  DOI：

  10.1021/om1010935