[Bi(CycH)₃]

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 氨基磺酸衍生物
• 英文名称: [Bi(CycH)₃]
• 化学式: Bi*3C₆H₁₂NO₃S
• 分子量: 743.677
• InChiKey: RRSBWMDJYUFEBN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  69.23
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  环拉酸 、 三苯基铋 以 neat (no solvent) 为溶剂， 反应 2.5h， 以68.6%的产率得到[Bi(CycH)₃]
  参考文献：
  名称：

  A sweeter way to combat Helicobacter pylori? Bismuth(III) complexes and oxido-clusters derived from non-nutritive sweeteners and their activity against H. pylori

  摘要：

  Eight new homo-and hetero-leptic bismuth(III) complexes and two new polynuclear bismuth(III) oxido clusters derived from acetosulfame (AceH) and cyclamic acid (CycH(2)) have been synthesised and characterised. Complexes, [Ph2Bi(Ace)] 1, [Bi(Ace)(3)] 2, [PhBi(Ace)(2)] 3, [Bi(CycH)(3)] 6, [Ph2Bi(CycH)] 7 and [PhBi(CycH)(2)] 8 were synthesised by treating BiPh3 with the appropriate acid in 1: 1, 1: 2 and 1: 3 stoichiometric ratios under solvent-free or solvent-mediated conditions. Complex 4, [Bi(OH)(Ace)(2)], was obtained from the hydrolysis of 3. [Bi-2(Cyc)(3)] 9 was obtained from the reaction of cyclamic acid with (Bi(OtBu)(3)) in a 3: 2 ratio under inert conditions. The polynuclear bismuth oxido clusters, [Bi50O64(Ace)(22)(H2O)(10)] 5 and [Bi38O45(CycH)(24)(H2O)(14)] 10 were obtained using Bi2O3 under sonication in water and their composition confirmed through elemental and thermogravimetric analyses. The DMSO soluble complexes, 1, 2, 4, 5, 6, 7 and 9, were all assessed for their in-vitro activity against three strains of H. pylori (251, 26695 and B128). All compounds gave an MIC value of 6.25 mu g/mL, indicating that bactericidal activity is insensitive to increased substitution by acetosulfamate or cyclamate at the Bi(III) centre. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.10.024