[2-(dimethylaminomethyl)phenyl]mercury(II)[S(S)PEt2] | 695153-48-1

• 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: [2-(dimethylaminomethyl)phenyl]mercury(II)[S(S)PEt2]
• CAS: 695153-48-1
• 化学式: C₁₃H₂₂HgNPS₂
• 分子量: 488.02
• InChiKey: DTGHXSOZAWBTQZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  2-(N,N-dimethylaminomethyl)phenyllithium 以 乙醚 、 二氯甲烷 为溶剂， 生成 [2-(dimethylaminomethyl)phenyl]mercury(II)[S(S)PEt2]
  参考文献：
  名称：

  New organomercury(II) compounds containing intramolecular N→Hg interactions: crystal and molecular structure of [2-(Me2NCH2)C6H4]HgCl and [2-(Me2NCH2)C6H4]Hg[S(S)PPh2]

  摘要：

  [2-(Me2NCH2)C6H4]HgCl (1) was prepared by reacting HgCl2 with [2-(Me2NCH2)C6H4]Li in diethyl ether. The reactions of 1 with the sodium or ammonium salt of the appropriate thiophosphinato ligand, in 1:1 molar ratio, afford the isolation of [2-(Me2NCH2)C6H4]Hg[S(S)PR2] [R=Me (2), Et (3), Ph (4)], [2-(Me2NCH2)C6H4]Hg[S(O)PPh2] (5) and [2-(Me2NCH2)C6H4]Hg[S(S)P((OPr)-Pr-i)(2)] (6). The compounds were investigated by IR and multinuclear NMR (H-1, C-13 and P-31) spectroscopy. The molecular structures of I and 4 were determined by single-crystal X-ray diffraction. Due to the strong intramolecular coordination of the N atom of the pendant CH2NMe2 arm [Hg(1)-N(1) 2.764(6) and 2.725(4) Angstrom in 1 and 4, respectively] both compounds exhibit a T-shaped (C,N)HgX core in the molecular unit, with almost linear arrangement of the covalent bonds [C(1)-Hg(1)-Cl(1) 176.93(18)degrees in 1, and C(1)-Hg(1)-S(1) 169.54(16)degrees in 4]. The crystals of 1 contain discrete monomeric molecules, while the crystals of 4 contain dimer associations built through asymmetric bridging dithiophosphinato ligands [Hg(1)-S(1) 2.3911(16) Angstrom, Hg(1)S-...(2a) 3.102(2) Angstrom], thus resulting in an overall pseudo-trigonal bipyramidal (or seesaw) (C,N)HgS2 core, with the nitrogen atom and the weekly bonded sulfur atom in equatorial positions [N(1)-Hg(1)S-...(2a) 82.01(10)degrees]. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.10.044