3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine | 1313187-24-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine
• 英文别名: 2-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine；3-Methoxy-6-methyl-2-naphthalen-2-ylpyridine；3-methoxy-6-methyl-2-naphthalen-2-ylpyridine
• CAS: 1313187-24-4
• 化学式: C₁₇H₁₅NO
• 分子量: 249.312
• InChiKey: JDWMJABTHCGISE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 、 三氯化铱 以 乙二醇乙醚 、 水 为溶剂， 以52%的产率得到[IrCl(2-methoxy-6-methyl-2-(naphthalene-2-yl)pyridine(-H))2]2
  参考文献：
  名称：

  Synthesis, structures and properties of new cyclometalated iridium(III) complexes of 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine

  摘要：

  The reaction between 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 1 and IrCl3 was performed in an attempt to synthesize a cyclometalated Ir(III) Cl-bridged dimer 2. An unexpected Ir(III) complex 3 was isolated, which was a five-coordinate bis-cyclometalated Ir(III) complex. The complexes 2 and 3 were converted to the same mononuclear complex 4 upon reacting with acetylacetonate (acac), respectively. All of the new compounds have been fully characterized by elemental analysis, IR, H-1, C-13{H-1} NMR and ESI-MS. Additionally, the crystal structures and properties of these Ir(III) complexes are investigated. The most striking common features of the structures of 2 and 3 is intramolecular C-H center dot center dot center dot Cl hydrogen bonds. The complex 4 shows yellow phosphorescence with structureless emission peaks at about 556 nm. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.004
• 作为产物：
  描述：

  2-萘硼酸 、 2-碘-3-甲氧基-6-甲基吡啶 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 24.0h， 以68%的产率得到3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine
  参考文献：
  名称：

  Synthesis, structures and properties of new cyclometalated iridium(III) complexes of 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine

  摘要：

  The reaction between 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 1 and IrCl3 was performed in an attempt to synthesize a cyclometalated Ir(III) Cl-bridged dimer 2. An unexpected Ir(III) complex 3 was isolated, which was a five-coordinate bis-cyclometalated Ir(III) complex. The complexes 2 and 3 were converted to the same mononuclear complex 4 upon reacting with acetylacetonate (acac), respectively. All of the new compounds have been fully characterized by elemental analysis, IR, H-1, C-13{H-1} NMR and ESI-MS. Additionally, the crystal structures and properties of these Ir(III) complexes are investigated. The most striking common features of the structures of 2 and 3 is intramolecular C-H center dot center dot center dot Cl hydrogen bonds. The complex 4 shows yellow phosphorescence with structureless emission peaks at about 556 nm. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.04.004

文献信息

• Synthesis, structures and properties of new cyclometalated iridium(III) complexes of 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine
  作者：Chen Xu、Zhi-Qiang Wang、Xin-Ming Dong、Xin-Qi Hao、Xue-Mei Zhao、Bao-Ming Ji、Mao-Ping Song

  DOI：10.1016/j.ica.2011.04.004

  日期：2011.7

  The reaction between 3-methoxy-6-methyl-2-(naphthalen-2-yl)pyridine 1 and IrCl3 was performed in an attempt to synthesize a cyclometalated Ir(III) Cl-bridged dimer 2. An unexpected Ir(III) complex 3 was isolated, which was a five-coordinate bis-cyclometalated Ir(III) complex. The complexes 2 and 3 were converted to the same mononuclear complex 4 upon reacting with acetylacetonate (acac), respectively. All of the new compounds have been fully characterized by elemental analysis, IR, H-1, C-13H-1} NMR and ESI-MS. Additionally, the crystal structures and properties of these Ir(III) complexes are investigated. The most striking common features of the structures of 2 and 3 is intramolecular C-H center dot center dot center dot Cl hydrogen bonds. The complex 4 shows yellow phosphorescence with structureless emission peaks at about 556 nm. (C) 2011 Elsevier B. V. All rights reserved.