1,1-Dipyridin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole | 1073316-38-7

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 1,1-Dipyridin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
• CAS: 1073316-38-7
• 化学式: C₂₁H₁₈N₄
• 分子量: 326.401
• InChiKey: PLFGASGFLRNAJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Dipyridin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole 、 碘甲烷 在 碳酸氢钠 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以99%的产率得到C₂₂H₂₀N₄
  参考文献：
  名称：

  Hydrogen-bonding network in new scorpionate-type ligand composed of pyridine/pyrrole hybrid and anion-binding behavior of the corresponding rhodium complexes in alkyne cyclotrimerization reaction

  摘要：

  New heteroscorpionate ligands (1 and 2) having a di(pyridin-2-yl)(1H-pyrrol-2-yl) methane substructure are synthesized. X-ray crystallographic analysis on 1 and 2 reveals that they form unique hydrogen bonding networks depending on the size of neighboring groups in solid states. 1 and 2 can form cationic rhodium( I) complexes, wherein the counter anions form hydrogen bondings with the pyrrolic NH moiety. In alkyne cyclotrimerization reactions using those complexes as catalyst, the catalytic activity is significantly enhanced when electron-donating counter anions is placed near the metal center. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.005
• 作为产物：
  描述：

  色胺 、 2-二吡啶基酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 8.0h， 以77%的产率得到1,1-Dipyridin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
  参考文献：
  名称：

  Hydrogen-bonding network in new scorpionate-type ligand composed of pyridine/pyrrole hybrid and anion-binding behavior of the corresponding rhodium complexes in alkyne cyclotrimerization reaction

  摘要：

  New heteroscorpionate ligands (1 and 2) having a di(pyridin-2-yl)(1H-pyrrol-2-yl) methane substructure are synthesized. X-ray crystallographic analysis on 1 and 2 reveals that they form unique hydrogen bonding networks depending on the size of neighboring groups in solid states. 1 and 2 can form cationic rhodium( I) complexes, wherein the counter anions form hydrogen bondings with the pyrrolic NH moiety. In alkyne cyclotrimerization reactions using those complexes as catalyst, the catalytic activity is significantly enhanced when electron-donating counter anions is placed near the metal center. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.005