5,5-di(2-pyridyl)dipyrromethane | 216683-35-1

• 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: 5,5-di(2-pyridyl)dipyrromethane
• 英文别名: 2-[pyridin-2-yl-bis(1H-pyrrol-2-yl)methyl]pyridine
• CAS: 216683-35-1
• 化学式: C₁₉H₁₆N₄
• 分子量: 300.363
• InChiKey: KAMQWFCDDKJUHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  丙酮 、 5,5-di(2-pyridyl)dipyrromethane 在 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 168.0h， 以2%的产率得到2,2,12,12,22,22-Hexamethyl-7,7,17,17,27,27-hexapyridin-2-yl-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene
  参考文献：
  名称：

  Extended Calixpyrroles:meso-Substituted Calix[6]pyrroles

  摘要：

  A 1,3,5-alternate conformation of the pyrrole rings is adopted by the calix[6]pyrrole 1 in the crystal (see picture). Compound 1 was synthesized in a two-step process and although it crystallizes in the form of the adduct 1⋅3CH3 COCH3 ⋅H2 O⋅CHCl3 , there are no solvent molecules in the cavity (cross section ca. 60Å2 ) of this macrocycle which possesses alternating dimethyl and diphenyl substitutents at the meso positions.

  DOI：

  10.1002/(sici)1521-3773(19981002)37:18<2475::aid-anie2475>3.0.co;2-7
• 作为产物：
  描述：

  2-吡咯甲酸甲酯 、 (pyridin-2-yl)magnesium bromide 在 三氟化硼乙醚 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 5,5-di(2-pyridyl)dipyrromethane
  参考文献：
  名称：

  5,5-Diaryldipyrromethanes: syntheses and anion binding properties

  摘要：

  A two-step synthesis of 5,5-diaryldipyrromethanes in good yields is described. The adopted synthetic strategy can be used to tune the substituent at the meso-carbon very easily by choosing the Grignard reagent of interest. Further, the influence of the incorporation of various diaryl units at the mesa-carbon atom in the inherent anion binding affinities of the dipyrromethanes through hydrogen bonding was discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.163

文献信息

• 5,5-Diaryldipyrromethanes: syntheses and anion binding properties
  作者：K.C. Gowri Sreedevi、Ajesh P. Thomas、P.S. Salini、S. Ramakrishnan、K.S. Anju、M.G. Derry Holaday、M.L.P. Reddy、C.H. Suresh、A. Srinivasan

  DOI：10.1016/j.tetlet.2011.08.163

  日期：2011.11

  A two-step synthesis of 5,5-diaryldipyrromethanes in good yields is described. The adopted synthetic strategy can be used to tune the substituent at the meso-carbon very easily by choosing the Grignard reagent of interest. Further, the influence of the incorporation of various diaryl units at the mesa-carbon atom in the inherent anion binding affinities of the dipyrromethanes through hydrogen bonding was discussed. (C) 2011 Elsevier Ltd. All rights reserved.
• Extended Calixpyrroles:meso-Substituted Calix[6]pyrroles
  作者：Boaz Turner、Mark Botoshansky、Yoav Eichen

  DOI：10.1002/(sici)1521-3773(19981002)37:18<2475::aid-anie2475>3.0.co;2-7

  日期：1998.10.2

  A 1,3,5-alternate conformation of the pyrrole rings is adopted by the calix[6]pyrrole 1 in the crystal (see picture). Compound 1 was synthesized in a two-step process and although it crystallizes in the form of the adduct 1⋅3CH3 COCH3 ⋅H2 O⋅CHCl3 , there are no solvent molecules in the cavity (cross section ca. 60Å2 ) of this macrocycle which possesses alternating dimethyl and diphenyl substitutents at the meso positions.