3,5-Dimethyl-2,6-dipyridin-2-ylpyridine | 1256374-25-0

• 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: 3,5-Dimethyl-2,6-dipyridin-2-ylpyridine
• CAS: 1256374-25-0
• 化学式: C₁₇H₁₅N₃
• 分子量: 261.326
• InChiKey: JRSJQXKZPYRFGI-UHFFFAOYSA-N

物化性质

• 熔点：
  170.5-171.5 °C
• 沸点：
  388.4±37.0 °C(Predicted)
• 密度：
  1.125±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 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：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-Dimethyl-2,6-dipyridin-2-ylpyridine 、 ethyl 3-methyl-2-(6-methyl-5-(3-methyl-1H-indol-2-yl)-1,1-dioxido-4H-1,4-thiazin-3-yl)-1H-indole-5-carboxylate 以 氯仿 为溶剂， 生成 ethyl 3-methyl-2-(6-methyl-5-(3-methyl-1H-indol-2-yl)-1,1-dioxido-4H-1,4-thiazin-3-yl)-1H-indole-5-carboxylate compound with 3',5'-dimethyl-2,2':6',2''-terpyridine (1:1)
  参考文献：
  名称：

  Substituent Effects in Double-Helical Hydrogen-Bonded AAA-DDD Complexes

  摘要：

  AbstractTwo series of DDD and AAA hydrogen‐bond arrays were synthesized that form triply‐hydrogen‐bonded double‐helical complexes when combined in CDCl3 solution. Derivatization of the DDD arrays with electron‐withdrawing groups increases the complex association constants by up to a factor of 30 in those arrays examined. Derivatization of the AAA arrays with electron donating substituents reveals a similar magnitude effect on the complex stabilities. The effect of substitution on both types of arrays are modeled quite satisfactorily (R2 > 0.96 in all cases) as free energy relationships with respect to the sums of their Hammett substituent constants. In all, the complex stabilities can be manipulated over more than three orders of magnitude (>20 kJ mol−1) using this type of modification.

  DOI：

  10.1002/chem.201103001
• 作为产物：
  描述：

  2,6-diiodo-3,5-dimethylpyridine 、 三正丁基2-吡啶基锌 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以57%的产率得到3,5-Dimethyl-2,6-dipyridin-2-ylpyridine
  参考文献：
  名称：

  Minimal complementary hydrogen-bonded double helices

  摘要：

  包含三个氢键供体（D）或受体（A）杂环的分子链通过互补的AAA–DDD阵列结构形成高度稳定的双螺旋复合物。

  DOI：

  10.1039/c0cc02475a

文献信息

• Substituent Effects in Double-Helical Hydrogen-Bonded AAA-DDD Complexes
  作者：Hong-Bo Wang、Bhanu P. Mudraboyina、James A. Wisner

  DOI：10.1002/chem.201103001

  日期：2012.1.27

  AbstractTwo series of DDD and AAA hydrogen‐bond arrays were synthesized that form triply‐hydrogen‐bonded double‐helical complexes when combined in CDCl3 solution. Derivatization of the DDD arrays with electron‐withdrawing groups increases the complex association constants by up to a factor of 30 in those arrays examined. Derivatization of the AAA arrays with electron donating substituents reveals a similar magnitude effect on the complex stabilities. The effect of substitution on both types of arrays are modeled quite satisfactorily (R2 > 0.96 in all cases) as free energy relationships with respect to the sums of their Hammett substituent constants. In all, the complex stabilities can be manipulated over more than three orders of magnitude (>20 kJ mol−1) using this type of modification.
• Minimal complementary hydrogen-bonded double helices
  作者：Hong-Bo Wang、Bhanu P. Mudraboyina、Jiaxin Li、James A. Wisner

  DOI：10.1039/c0cc02475a

  日期：——

  Molecular strands incorporating three hydrogen bond donor (D) or acceptor (A) heterocycles form highly stable double helical complexes through a complementary AAA–DDD array structure.

  包含三个氢键供体（D）或受体（A）杂环的分子链通过互补的AAA–DDD阵列结构形成高度稳定的双螺旋复合物。