6,6''-di(p-tolyl)-2,2':6',2''-terpyridine | 827306-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6,6''-di(p-tolyl)-2,2':6',2''-terpyridine
• 英文别名: 2,6-Bis[6-(4-methylphenyl)pyridin-2-yl]pyridine；2,6-bis[6-(4-methylphenyl)pyridin-2-yl]pyridine
• CAS: 827306-37-6
• 化学式: C₂₉H₂₃N₃
• 分子量: 413.522
• InChiKey: GXLMSUBPEGUFSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,6''-di(p-tolyl)-2,2':6',2''-terpyridine 以 四氢呋喃 为溶剂， 生成 FeCl2[6,6''-di(p-tolyl)-2,2':6',2''-terpyridine][THF]
  参考文献：
  名称：

  Iron complexes of terdentate nitrogen ligands: formation and X-ray structure of three new dicationic complexes

  摘要：

  Dicationic iron complexes were obtained upon complexation of the ligands 6,6"-di(p-tolyl)-2,2':6',2"-terpyridine (L-1) or 2,6-bis(3-tnesitylpyrazol-1-yl)pyridine (L-2) with iron dichloride or iron trichloride. They were characterized by X-ray diffraction and FT-IR spectroscopy. Single crystal structure determinations of (L-1)(2)Fe2+(FeCl4-)(2), (L-2)(2)Fe2+FeCl42- and (L-2)(2)Fe2+(FeCl4-),(THF)(4) all show six-coordinate metal center. These complexes were obtained from (LFeCl2)-Fe-1 and (LFeCl2)-Fe-2 during recrystallization attempts. (L-1)(2)Fe2+ was shown to be a high-spin complex, whereas (L-2)(2)Fe2+ was shown to be low-spin. For (L-2)(2)Fe2+FeCl42-, two independent dications of very similar geometry but with distinctive distortion were observed by X-ray analysis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.10.001

文献信息

• Iron complexes of terdentate nitrogen ligands: formation and X-ray structure of three new dicationic complexes
  作者：F. Pelascini、Manuel Wesolek、F. Peruch、A. De Cian、N. Kyritsakas、P.J. Lutz、J. Kress

  DOI：10.1016/j.poly.2004.10.001

  日期：2004.12

  Dicationic iron complexes were obtained upon complexation of the ligands 6,6"-di(p-tolyl)-2,2':6',2"-terpyridine (L-1) or 2,6-bis(3-tnesitylpyrazol-1-yl)pyridine (L-2) with iron dichloride or iron trichloride. They were characterized by X-ray diffraction and FT-IR spectroscopy. Single crystal structure determinations of (L-1)(2)Fe2+(FeCl4-)(2), (L-2)(2)Fe2+FeCl42- and (L-2)(2)Fe2+(FeCl4-),(THF)(4) all show six-coordinate metal center. These complexes were obtained from (LFeCl2)-Fe-1 and (LFeCl2)-Fe-2 during recrystallization attempts. (L-1)(2)Fe2+ was shown to be a high-spin complex, whereas (L-2)(2)Fe2+ was shown to be low-spin. For (L-2)(2)Fe2+FeCl42-, two independent dications of very similar geometry but with distinctive distortion were observed by X-ray analysis. (C) 2004 Elsevier Ltd. All rights reserved.