3,5-bis(2-pyridoxy)toluene | 761457-09-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5-bis(2-pyridoxy)toluene
• 英文别名: 2-(3-Methyl-5-pyridin-2-yloxyphenoxy)pyridine
• CAS: 761457-09-4
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: YCBMRCIBEKRPAP-UHFFFAOYSA-N

物化性质

• 沸点：
  421.6±40.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-bis(2-pyridoxy)toluene 在 potassium tert-butoxide 作用下， 以 甲醇 、 溶剂黄146 、 乙腈 为溶剂， 生成 ([Pt(3,5-bis(2-pyridoxy)tolueneato)]2(μ-pyrazolato))(ClO4)
  参考文献：
  名称：

  Synthesis, characterization and spectroscopic studies of cyclometalated platinum(II) complexes containing meta-bis(2-pyridoxy)benzene

  摘要：

  A series of mononuclear and binuclear cyclometalated platinum(II) complexes containing new terdentate meta-bis(2-pyridoxy)benzene ligands: 3,5-bis(2-pyridoxy)toluene (L1H) and 3,5-bis(2-pyridoxy)-2-dodecylbenzene (L2H): [Pt(L-1)Cl] (1), [Pt(L-2)Cl] (2), [Pt(L-1)(CH3CN)](ClO4) (3), J[Pt(L-1)](2)(mu-dppm)}(ClO4)(2) (4), {[Pt(L-2)]mu-dppm))(ClO4)(2) (5), ([Pt(L-1)](2)(mu-pyrazole))(ClO4) (6), [Pt(L-2)](2)(mu-pyrazole)}(ClO4) (7), {[Pt(L-1)12(mu-imidazole))(ClO4) (8) and {[Pt(L-2)](2)(mu-imidazole)J(ClO4) (9), have been synthesized and characterized. These ligands are coordinated to platinum(II) in a "pincer"-like manner and the presence of pyridyl donors enhances the availability of the ligand pi* orbitals for electronic transition. Spectroscopic properties of these cyclometalated complexes were studied. While the non-coplanar nature of the ligands hinders ligand-ligand and metal-metal interactions in these cyclometalated complexes, the presence of long hydrocarbon side chain on ligand L2H seems to alleviate such hindrance. Intermolecular pi-pi, and possibly Pt-Pt interactions were observed in complex 2 at high concentration. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.006
• 作为产物：
  描述：

  2-溴吡啶 、 3,5-二羟基甲苯 在 potassium carbonate 作用下， 反应 3.0h， 以42%的产率得到3,5-bis(2-pyridoxy)toluene
  参考文献：
  名称：

  Synthesis, characterization and spectroscopic studies of cyclometalated platinum(II) complexes containing meta-bis(2-pyridoxy)benzene

  摘要：

  A series of mononuclear and binuclear cyclometalated platinum(II) complexes containing new terdentate meta-bis(2-pyridoxy)benzene ligands: 3,5-bis(2-pyridoxy)toluene (L1H) and 3,5-bis(2-pyridoxy)-2-dodecylbenzene (L2H): [Pt(L-1)Cl] (1), [Pt(L-2)Cl] (2), [Pt(L-1)(CH3CN)](ClO4) (3), J[Pt(L-1)](2)(mu-dppm)}(ClO4)(2) (4), {[Pt(L-2)]mu-dppm))(ClO4)(2) (5), ([Pt(L-1)](2)(mu-pyrazole))(ClO4) (6), [Pt(L-2)](2)(mu-pyrazole)}(ClO4) (7), {[Pt(L-1)12(mu-imidazole))(ClO4) (8) and {[Pt(L-2)](2)(mu-imidazole)J(ClO4) (9), have been synthesized and characterized. These ligands are coordinated to platinum(II) in a "pincer"-like manner and the presence of pyridyl donors enhances the availability of the ligand pi* orbitals for electronic transition. Spectroscopic properties of these cyclometalated complexes were studied. While the non-coplanar nature of the ligands hinders ligand-ligand and metal-metal interactions in these cyclometalated complexes, the presence of long hydrocarbon side chain on ligand L2H seems to alleviate such hindrance. Intermolecular pi-pi, and possibly Pt-Pt interactions were observed in complex 2 at high concentration. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.06.006

文献信息

• Synthesis, characterization and spectroscopic studies of cyclometalated platinum(II) complexes containing meta-bis(2-pyridoxy)benzene
  作者：Brenda Ka-Wen Chiu、Michael Hon-Wah Lam、Derek Yiu-Kin Lee、Wai-Yeung Wong

  DOI：10.1016/j.jorganchem.2004.06.006

  日期：2004.9

  A series of mononuclear and binuclear cyclometalated platinum(II) complexes containing new terdentate meta-bis(2-pyridoxy)benzene ligands: 3,5-bis(2-pyridoxy)toluene (L1H) and 3,5-bis(2-pyridoxy)-2-dodecylbenzene (L2H): [Pt(L-1)Cl] (1), [Pt(L-2)Cl] (2), [Pt(L-1)(CH3CN)](ClO4) (3), J[Pt(L-1)](2)(mu-dppm)}(ClO4)(2) (4), [Pt(L-2)]mu-dppm))(ClO4)(2) (5), ([Pt(L-1)](2)(mu-pyrazole))(ClO4) (6), [Pt(L-2)](2)(mu-pyrazole)}(ClO4) (7), [Pt(L-1)12(mu-imidazole))(ClO4) (8) and [Pt(L-2)](2)(mu-imidazole)J(ClO4) (9), have been synthesized and characterized. These ligands are coordinated to platinum(II) in a "pincer"-like manner and the presence of pyridyl donors enhances the availability of the ligand pi* orbitals for electronic transition. Spectroscopic properties of these cyclometalated complexes were studied. While the non-coplanar nature of the ligands hinders ligand-ligand and metal-metal interactions in these cyclometalated complexes, the presence of long hydrocarbon side chain on ligand L2H seems to alleviate such hindrance. Intermolecular pi-pi, and possibly Pt-Pt interactions were observed in complex 2 at high concentration. (C) 2004 Elsevier B.V. All rights reserved.