| 1415257-95-2

• CAS: 1415257-95-2
• 化学式: C₃₆H₄₀Cl₂N₄Pd
• 分子量: 706.066
• InChiKey: IDGHTCSVYWHPFG-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  1-benzyl-1H-benzo[d]imidazole 以 甲醇 、 二氯甲烷 为溶剂， 反应 44.0h， 生成
  参考文献：
  名称：

  Non-symmetrically substituted N-heterocyclic carbene–Ag(I) complexes of benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer activity and transmetallation studies

  摘要：

  Non-symmetrically substituted benzimidazolium salts (1 and 2) having bromide counterion undergo metallation with Ag2O at stiochiometric ratio, giving mononuclear bis-carbene Ag(I) complexes (3 and 4), active as anticancer agents against Human Colorectal (HCT 116) cell lines. Both the complexes provide good activity (IC50 = 13.9 mu M for 3 and 14.6 mu M for 4) in the anticancer studies and so distinctly better than the ligand precursors (IC50 = 119.3 mu M for 1, and 70.0 mu M for 2). The molecular structure of Ag complexes 3 and 4 is elucidated by X-ray diffraction studies. The Pd(II)- and Au(I)-NHC complexes (5 and 6) were synthesized from 4 via the technique of transmetallation. However, attempts to produce transmetallated complexes using 3 were unsuccessful. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.013