| 1333143-87-5

• CAS: 1333143-87-5
• 化学式: C₄₈H₄₆Br₄Hg₂O₆P₂
• 分子量: 1501.63
• InChiKey: MDVYEHXOECRBJJ-UHFFFAOYSA-J

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：

  2-氧-4-(三苯基膦)丁酸乙酯 、 mercury dibromide 以 甲醇 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Structural, theoretical and multinuclear NMR study of mercury(II) complexes with a new ambidentate phosphorus ylide

  摘要：

  The reaction of the new ambidentate ylide, Ph(3)PCHCOCH(2)COOC(2)H(5) (EAPPY), with HgX(2) (X = Cl, Br and I) in equimolar ratios using methanol as the solvent leads to binuclear complexes of the type [EAPPY center dot HgX(2)](2) (X = Cl (1), Br (2) and I (3)). Single crystal X-ray analysis reveals the presence of a centrosymmetric dimeric structure containing the ylide and HgX2 (X = Br or I). The IR and NMR data of the product [(EAPPY)center dot HgCl(2)](2) (I), formed by the reaction of mercury(II) chloride with the same ylide, are similar to those of 2 and 3. Analytical data indicate a 1:1 stoichiometry between the ylide and Hg(II) halide in each of the three products. Theoretical studies indicate that the nature of the R group in ylides of the type Ph(3)PCHCOR has a weak effect on the Hg-C(ylide) bond length in binuclear Hg(2)L(2)I(4) complexes. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.06.033