| 1429769-75-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1429769-75-4
• 化学式: C₂₇H₃₆NSb₃
• 分子量: 739.84
• InChiKey: UHXWBPGFTBXOHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 碘甲烷 以 乙腈 为溶剂， 反应 5.0h， 生成 6-[2-(dimethylstibanyl)benzyl]-12,12-dimethyl-5,6,7,12-tetrahydrodibenzo[c,f][1,5]azastibocin-12-ium iodide
  参考文献：
  名称：

  Synthesis and Reactions of a Hybrid Tristibine Ligand

  摘要：

  The tripodal tristibine N(CH2-2-C6H4SbMe2)(3) (L) has been prepared in high yield and characterized by H-1 and C-13{H-1} NMR spectroscopy and elemental analysis. A range of reactions with transition-metal acceptors were carried out to probe the coordinative properties of L. The 3/1 M/L complex [{FeCp(CO)(2)}(3)(L)-kappa Sb':kappa Sb':kappa Sb ''][BF4](3) involves tridentate bridging coordination of L to three CpFe(CO)(2) fragments. In [Mn(CO)(3)(L)][CF3SO3] the ligand adopts a tridentate chelating mode via a Sb-3 donor set; treatment of this complex with Me3NO in MeCN solution gave crystals of [Mn(CO)(2)(L)(MeCN)][CF3SO3], which lost MeCN in vacuo, probably resulting in coordination of CF3SO3- coordination of the [CF3SO3](-) anion. [M(L)][BF4] (M = Ag, Cu) were also prepared. The reaction of L with CuBr leads to isolation of [Cu4Br4(L)(2)] in the solid state, which contains a Cu2Br4 core with a short central Cu center dot center dot center dot Cu distance, capped with Cu(L) units at each end. The transition-metal complexes of L were characterized by elemental analysis, ESI+ mass spectrometry, IR spectroscopy, and H-1, C-13{H-1}, and (where appropriate) Mn-55 or Cu-63 NMR spectroscopy. Solid-state X-ray structures were determined for [Mn(CO)(3)(L)][CF3SO3], [Mn(CO)(2)(L)(MeCN)][CF3SO3], [Cu4Br4(L)(2)], and [Cu3Br2(L)(2)][BF4]. In each of these structures the chelating ligand adopts a twisted, propeller-like conformation. NMR spectroscopic analysis suggests that the ligand also adopts this rigid conformation in solution.

  DOI：

  10.1021/om400205d
• 作为产物：
  描述：

  2-溴溴苄 在 正丁基锂 、 氨 作用下， 以 四氢呋喃 、 乙醇 、 正己烷 为溶剂， 反应 18.17h， 生成
  参考文献：
  名称：

  Synthesis and Reactions of a Hybrid Tristibine Ligand

  摘要：

  The tripodal tristibine N(CH2-2-C6H4SbMe2)(3) (L) has been prepared in high yield and characterized by H-1 and C-13{H-1} NMR spectroscopy and elemental analysis. A range of reactions with transition-metal acceptors were carried out to probe the coordinative properties of L. The 3/1 M/L complex [{FeCp(CO)(2)}(3)(L)-kappa Sb':kappa Sb':kappa Sb ''][BF4](3) involves tridentate bridging coordination of L to three CpFe(CO)(2) fragments. In [Mn(CO)(3)(L)][CF3SO3] the ligand adopts a tridentate chelating mode via a Sb-3 donor set; treatment of this complex with Me3NO in MeCN solution gave crystals of [Mn(CO)(2)(L)(MeCN)][CF3SO3], which lost MeCN in vacuo, probably resulting in coordination of CF3SO3- coordination of the [CF3SO3](-) anion. [M(L)][BF4] (M = Ag, Cu) were also prepared. The reaction of L with CuBr leads to isolation of [Cu4Br4(L)(2)] in the solid state, which contains a Cu2Br4 core with a short central Cu center dot center dot center dot Cu distance, capped with Cu(L) units at each end. The transition-metal complexes of L were characterized by elemental analysis, ESI+ mass spectrometry, IR spectroscopy, and H-1, C-13{H-1}, and (where appropriate) Mn-55 or Cu-63 NMR spectroscopy. Solid-state X-ray structures were determined for [Mn(CO)(3)(L)][CF3SO3], [Mn(CO)(2)(L)(MeCN)][CF3SO3], [Cu4Br4(L)(2)], and [Cu3Br2(L)(2)][BF4]. In each of these structures the chelating ligand adopts a twisted, propeller-like conformation. NMR spectroscopic analysis suggests that the ligand also adopts this rigid conformation in solution.

  DOI：

  10.1021/om400205d