N-(2-(4-methoxyphenyltelluro)ethyl)pyrrolidine | 652132-28-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-(2-(4-methoxyphenyltelluro)ethyl)pyrrolidine
• 英文别名: 1-{2-[(4-Methoxyphenyl)tellanyl]ethyl}pyrrolidine；1-[2-(4-methoxyphenyl)tellanylethyl]pyrrolidine
• CAS: 652132-28-0
• 化学式: C₁₃H₁₉NOTe
• 分子量: 332.9
• InChiKey: UGWKRHLNZXUOOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.54
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2-(4-methoxyphenyltelluro)ethyl)pyrrolidine 、 mercury dibromide 以 氯仿 、 丙酮 为溶剂， 以70%的产率得到[HgBr2(N-(2-(4-methoxyphenyltelluro)ethyl)pyrrolidine)]
  参考文献：
  名称：

  Hybrid (Te, N) and (N, Te, N) ligands having pyrrolidine ring and their palladium(II) and mercury(II) complexes: synthesis and crystal structures

  摘要：

  Reactions of (2-choroethyl)pyrrolidine hydrochloride with ArTe- or Te2- generated in situ by borohydride reduction of Ar2Te2 or elemental tellurium give N-{2-(4-methoxyphenyltelluro)ethyl}pyrrolidine (L-1) or bis{2-(pyrrolidine-N-yl)ethyl} telluride (L-2), respectively, as viscous liquids, which are characterized by H-1- and C-13 {H-1}-NMR spectroscopy. The potentially bidentate hybrid organotellurium ligand (L-1) reacts with HgBr2 and Na2PdCl4 to give complexes [HgBr2.L-1] (1) and [PdCl2.L-1] (2) respectively. The potentially tridentate ligand (L-2) also forms a complex [HgBr2.L-2] (3). All three complexes give characteristic H-1- and C-13{H-1}-NMR spectra, although the deshielding of carbon atoms linked to Te/N as well as protons attached to them is small in the case of both Hg complexes. The single crystal structures of 1-3 have been solved. In 1 and 2 the ligand L-1 coordinates via Te and N both with metal indicating that the pyrrolidine N has good ligating strength. The Pd-Te and Hg-Te bond lengths are 2.4781(3) and 2.747(1) Angstrom, respectively. The Pd-Cl trans to Te (2.3915(7) Angstrom) is longer than other Pd-Cl bond length. There are two independent molecules in the asymmetric unit of 3 that have essentially the same bidentate molecular structures. There is no evidence of significant intermolecular Hg-Br bonding. The Hg-Te bond in 3 (ave. 2.686(2) Angstrom) is shorter than in 1. The potentially tridentate ligand L 2 in complex 3 coordinates only as a bidentate donor. The molecular weights of 1 and 2 are close to double the formula weight indicating strong molecular association in solution. Te-C(alkyl) is somewhat longer than Te-C(aryl) for complexes 1 and 2. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.08.024