2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-vinylbenzimidazole | 902138-04-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-vinylbenzimidazole
• 英文别名: (Ph(CH2)2)2P(S)CH(OH)(C7N2H4)(CHCH2)；bis(2-phenylethyl)phosphinothioyl-(1-ethenylbenzimidazol-2-yl)methanol
• CAS: 902138-04-9
• 化学式: C₂₆H₂₇N₂OPS
• 分子量: 446.553
• InChiKey: OHQDARQMPAFOEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-vinylbenzimidazole 、 cadmium(II) chloride 以 丙酮 为溶剂， 以43%的产率得到(2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-vinylbenzimidazole)dichlorocadmium
  参考文献：
  名称：

  Synthesis of metal complexes with 2-[bis(2-phenylethyl)-thiophophorylhydroxymethyl]-1-organilimidazoles. Crystal structure of ZnCl2 · 2L

  摘要：

  The reactions of Zn(II), Cd(II), Cu(II), Co(II), Pd(II) dichlorides with 2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-organilimidazoles (L-1-L-4) were studied. The novel complexes were synthesized and characterized by IR and NMR spectroscopies. Depending on the nature of imidazolephosphinesulfide, both monodentate (at the "pyridine" N(1) atom of heterocycle) and the N,S-bidentate binding of the ligand by a metal can be realized in the above metal complexes. The structure of the complex ZnCl2 center dot 2L(4) (I) (L-4 = 2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-ethylbenzimidazole) was studied by X-ray diffraction. One of the two independent L-4 molecules performs the solvate function, while another one, together with two Cl atoms, is coordinated through the atoms N(1) and S to the Zn atom at the vertices of a slightly distorted tetrahedron. The molecule of the complex is united with the solvate molecule into [ZnCl2L4]L-4 associates by strong intermolecular hydrogen bonds to give nonplanar four-membered H-cycle OH2N.

  DOI：

  10.1134/s1070328408070026
• 作为产物：
  描述：

  1-乙烯基-1H-苯并咪唑-2-甲醛 、 bis(2-phenylethyl)phosphane sulfide 以 四氢呋喃 为溶剂， 反应 24.0h， 以65%的产率得到2-[bis(2-phenylethyl)thiophosphorylhydroxymethyl]-1-vinylbenzimidazole
  参考文献：
  名称：

  Atom-Economic Synthesis of New Imidazoles and Benzimidazoles with Thiophosphoryl and Hydroxyl Groups

  摘要：

  DOI：

  10.1007/s10593-005-0150-3