1-hexyl-1,3,5-triaza-7-phosphaadamantan-1-ium 3-(diphenylphosphaneyl)benzenesulfonate | 1446756-39-3

• 英文名称: 1-hexyl-1,3,5-triaza-7-phosphaadamantan-1-ium 3-(diphenylphosphaneyl)benzenesulfonate
• CAS: 1446756-39-3
• 化学式: C₁₂H₂₅N₃P*C₁₈H₁₄O₃PS
• 分子量: 583.671
• InChiKey: ZGHCRGZQHIMFTI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  39.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  63.68
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1-hexyl-1,3,5-triaza-7-phosphaadamantan-1-ium 3-(diphenylphosphaneyl)benzenesulfonate 以 甲醇 为溶剂， 反应 2.0h， 生成 [(η⁶-p-cymene)RuCl₂(1-hexyl-1-azonia-3,5-diaza-7-phosphaadamantyl)][(η⁶-p-cymene)RuCl₂(mtppms)]
  参考文献：
  名称：

  Two in one: Charged tertiary phosphines held together by ionic or covalent interactions as bidentate phosphorus ligands for synthesis of half-sandwich Ru(II)-complexes

  摘要：

  Ion pairs consisting of N-substituted derivatives of 1,3,5-triaza-7-phosphaadamantane (pta-R; R = benzyl, butyl, hexyl) as cations and monosulfonated triphenylphosphine (mtppms) as anion were synthesized and characterized (including X-ray diffraction, too). These ion pairs act as bidentate phosphorus ligands in reactions with [(eta(6)-C10H14)RuCl2](2), yielding mononuclear or dinuclear half sandwich Ru(II) complexes. Bisphosphine 3 of good water-solubility was synthesized in reaction of pta with 1,4-bis(chloromethyl)benzene and used for the synthesis of the water-soluble dinuclear complex [{(eta(6)-C10H14)RuCl2)(2)(mu-3)]Cl-2. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.05.008
• 作为产物：
  描述：

  1-hexyl-1-azonia-3,5-diaza-7-phosphaadamantyl bromide 、 sodium 3-(diphenylphosphanyl)benzenesulfonate 以 水 为溶剂， 以51%的产率得到1-hexyl-1,3,5-triaza-7-phosphaadamantan-1-ium 3-(diphenylphosphaneyl)benzenesulfonate
  参考文献：
  名称：

  Two in one: Charged tertiary phosphines held together by ionic or covalent interactions as bidentate phosphorus ligands for synthesis of half-sandwich Ru(II)-complexes

  摘要：

  Ion pairs consisting of N-substituted derivatives of 1,3,5-triaza-7-phosphaadamantane (pta-R; R = benzyl, butyl, hexyl) as cations and monosulfonated triphenylphosphine (mtppms) as anion were synthesized and characterized (including X-ray diffraction, too). These ion pairs act as bidentate phosphorus ligands in reactions with [(eta(6)-C10H14)RuCl2](2), yielding mononuclear or dinuclear half sandwich Ru(II) complexes. Bisphosphine 3 of good water-solubility was synthesized in reaction of pta with 1,4-bis(chloromethyl)benzene and used for the synthesis of the water-soluble dinuclear complex [{(eta(6)-C10H14)RuCl2)(2)(mu-3)]Cl-2. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.05.008