bis[(1-pyrazolyl)methyl]-1-methylethylamine | 340967-10-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis[(1-pyrazolyl)methyl]-1-methylethylamine
• 英文别名: N,N-bis(pyrazol-1-ylmethyl)propan-2-amine
• CAS: 340967-10-4
• 化学式: C₁₁H₁₇N₅
• 分子量: 219.289
• InChiKey: JSTNBVNLVHSRDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis[(1-pyrazolyl)methyl]-1-methylethylamine 、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 以 二氯甲烷 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  Organometallic rhodium (I) complexes with 1-alkylaminopyrazole ligands

  摘要：

  New bidentate NN ' and tridentate NN 'N 1-alkylaminopyrazoles were synthesized and characterized by elemental analyses and spectroscopic methods. The reaction of [RhCl(cod)(2)] (cod = cycloocta-1,5-diene) with one equivalent of L 1-alkylaminopyrazoles afforded Rh2Cl2(L)(cod)(2) complexes (L = NN ' and NN 'N). These rhodium (I) compounds were studied by IR, H-1- and C-13-NMR and liquid mass (with electrospray and APCI interfaces) spectrometries. The H-1-NMR spectra and molar conductances of these complexes suggested the presence of 1:1 electrolyte species, [Rh(L)cod](+) [RhCl2(cod)](-), in solution. A combined electrospray and APCI liquid mass spectroscopy study confirmed the presence of both [Rh(L)cod](+) and [RhCl2(cod)](-) species in solution bur the existence of a neutral molecular form of complexes in solution could not be demonstrated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00662-8
• 作为产物：
  描述：

  1-吡唑甲醇 、 异丙胺 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 以86%的产率得到bis[(1-pyrazolyl)methyl]-1-methylethylamine
  参考文献：
  名称：

  Organometallic rhodium (I) complexes with 1-alkylaminopyrazole ligands

  摘要：

  New bidentate NN ' and tridentate NN 'N 1-alkylaminopyrazoles were synthesized and characterized by elemental analyses and spectroscopic methods. The reaction of [RhCl(cod)(2)] (cod = cycloocta-1,5-diene) with one equivalent of L 1-alkylaminopyrazoles afforded Rh2Cl2(L)(cod)(2) complexes (L = NN ' and NN 'N). These rhodium (I) compounds were studied by IR, H-1- and C-13-NMR and liquid mass (with electrospray and APCI interfaces) spectrometries. The H-1-NMR spectra and molar conductances of these complexes suggested the presence of 1:1 electrolyte species, [Rh(L)cod](+) [RhCl2(cod)](-), in solution. A combined electrospray and APCI liquid mass spectroscopy study confirmed the presence of both [Rh(L)cod](+) and [RhCl2(cod)](-) species in solution bur the existence of a neutral molecular form of complexes in solution could not be demonstrated. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(00)00662-8