N,N-dimethyl-4-(phenylmethylideneamino)aniline;mercury(2+) | 412036-32-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-dimethyl-4-(phenylmethylideneamino)aniline;mercury(2+)
• CAS: 412036-32-9
• 化学式: C₃₀H₃₀HgN₄
• 分子量: 647.185
• InChiKey: JHQVZEHJGKHZJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  31.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  Hg(o-C6H4-2-CH(O2C2H4))2 在 p-toluenesulfonic acid monohydrate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 N,N-dimethyl-4-(phenylmethylideneamino)aniline;mercury(2+)
  参考文献：
  名称：

  The Synthesis and Characterization of Compounds of the Type Hg{1-C₆H₄-2-C(H)NC₆H_5-nR_n}₂

  摘要：

  The organomercurial compounds Hg{1-C6H4-2-C(H)=NC6H5-nRn}(2) (R = 4-NMe2, 6a; 4-Me, 6b; 4-I, 6c; 4-NO2, 6d; 2-Pr-i, 6e; 2-Me, 6f; 2,6-(i)Pr2, 6g; 2,6-Me-2, 6h) have been prepared in good overall yield from 2-bromobenzaldehyde. All of the compounds have been characterized by elemental analysis, H-1 NMR, C-13{H-1} NMR, and infrared spectroscopy. In addition, compounds 6a [C30H30HgN4, triclinic, P (1) over bar, a = 6.20000(10) Angstrom, b = 9.2315(2) Angstrom, c = 10.9069(3) Angstrom, alpha = 85.8510(10)degrees, beta = 89.3570(10)degrees, gamma = 87.206(2)degrees, Z = 1], 61) [C28H24HgN2, monoclinic, P2(1)/c, a = 12.8260(5) Angstrom, b = 14.0675(4) Angstrom, c = 6.1032(2) Angstrom, = 90.0990(10)degrees, Z = 2], 6g [C38H44HgN2, triclinic, P (1) over bar, a = 8.2626(2) Angstrom, b = 9.8317(2) Angstrom, c = 11.8873(3) Angstrom, alpha 103.6650(10)degrees, beta = 109.3350(10)degrees, gamma = 104.627(2)degrees, Z = 1], and 6h [C30H28HgN2, monoclinic, P2(1)/c, a = 12.5307(2) Angstrom, b = 10.9852(2) Angstrom, c = 18.2112(2) Angstrom, beta = 104,0190(10)degrees, gamma = 87.206(2)degrees, Z = 4] have been characterized by low-temperature single-crystal X-ray diffraction studies, and two different molecular geometries about the central mercury atom have been observed; intramolecular contacts suggest a van der Waals radius for Hg of 2.1-2.2 Angstrom.

  DOI：

  10.1021/ic010881q