Hg(o-C6H4-2-CH(O2C2H4))2 | 424833-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Hg(o-C6H4-2-CH(O2C2H4))2
• CAS: 424833-66-9
• 化学式: C₁₈H₁₈HgO₄
• 分子量: 498.929
• InChiKey: BGOYOYVWTIPYFU-UHFFFAOYSA-N

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

• 作为反应物：
  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
  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
• 作为产物：
  描述：

  2-溴苯甲醛乙烯醛 、 mercury dibromide 在 Mg 、 I₂ 作用下， 以 四氢呋喃 为溶剂， 以74%的产率得到Hg(o-C6H4-2-CH(O2C2H4))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

文献信息

• Hemilabile orthometallated acetals: Synthesis, spectroscopic characterization and crystal and molecular structures of [RuCl{η2-C,O-C6H4-2-CH(O2C2H4)}(CO)(PPh3)2] and [HgBr{η2-C,O-C6H4-2-CH(O2C2H4)}]
  作者：Rosalyn J. Evans、Kevin R. Flower、Laura G. Leal、Patrick J. O’Malley、Claudia Mangold、Robin G. Pritchard、John E. Warren

  DOI：10.1016/j.jorganchem.2007.02.029

  日期：2007.5

  Treatment of [RuHCl(CO)(PPh3)2] with [HgC6H4-2-H(O2C2H4)}2] (1) in refluxing toluene affords [RuClη2-C,O-C6H4-2-CH(O2C2H4)}(CO)(PPh3)2] (2a). Compound 2a reacts with Ag[BF4] followed by NaX (X = Br, I, F) to give [RuXη2-C,O-C6H4-2-CH(O2C2H4)}(CO)(PPh3)2] (2b–d). All compounds have been characterized by elemental analysis (C and H), IR, 1H, 13C–1H} and 31P–1H} NMR spectroscopy. A crystallographic

  的治疗[RuHCl（CO）（PPH 3）2 ]与[汞柱C 6 H ^ 4 -2-H（O 2 C ^ 2 ^ h 4）} 2 ]（1在回流甲苯，得到将[RuCl η）2 - C ^，O -C 6 H 4 -2-CH（O 2 C 2 H 4）}（CO）（PPh 3）2 ]（2a）。化合物2a中有Ag [BF进行反应4 ]接着的NaX（X = Br的，I，F），得到[RUXη 2 - Ç，O -C 6 H 4 -2-CH（O 2 C 2 H 4）}（CO）（PPh 3）2 ]（2b – d）。所有化合物均已通过元素分析（C和H），IR，1 H，13 C– 1 H}和31 P– 1 H} NMR光谱进行了表征。2a的晶体学研究表明，不对称单元中存在一对对映异构体和一对非对映异构体。对模型化合物[RuCl（CH 3）（EH 2）的理论计算（使用LanL2DZ基集的B3LYP ））（CO）（PH