4-[(2,6-Diphenylpyran-4-ylidene)methyl]pyridine | 1211094-71-1

• 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: 4-[(2,6-Diphenylpyran-4-ylidene)methyl]pyridine
• 英文别名: 4-[(2,6-diphenylpyran-4-ylidene)methyl]pyridine
• CAS: 1211094-71-1
• 化学式: C₂₃H₁₇NO
• 分子量: 323.394
• InChiKey: AMOGGBYUEFYWJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  草酰氯 、 4-[(2,6-Diphenylpyran-4-ylidene)methyl]pyridine 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到2-(2,6-Diphenylpyran-4-ylidene)-2-pyridin-4-ylacetaldehyde
  参考文献：
  名称：

  Ferrocenyl and pyridyl methylenepyrans as potential precursors of organometallic electron-rich extended bipyrans: Synthesis, characterization and crystal structure

  摘要：

  Ferrocenyl and pyridyl methylenepyrans were obtained from a Wittig reaction between a pyran phosphorane and ferrocenyl or pyridyl-aldehydes. The nucleophilic nature of the exocyclic C-C bond allowed the formylation of these compounds by a Vilsmeier type reaction. All the new products were characterized by IR spectroscopy, H-1 and C-13 NMR spectroscopy, mass spectroscopy and (or) elemental analysis. Electrochemistry of representative compounds 2, 10 and 13 was undertaken.In addition, a crystal structure of the ferrocenylpyranylidene aldehyde 5 was described, and the pyrylium character of this compound was specified. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.006
• 作为产物：
  描述：

  4-吡啶甲醛 、 2,6-diphenyl-4H-pyran-4-yl triphenylphosphonium tetrafluoroborate salt 在 正丁基锂 作用下， 以 四氢呋喃 、 Petroleum ether 为溶剂， 反应 1.08h， 以85%的产率得到4-[(2,6-Diphenylpyran-4-ylidene)methyl]pyridine
  参考文献：
  名称：

  Ferrocenyl and pyridyl methylenepyrans as potential precursors of organometallic electron-rich extended bipyrans: Synthesis, characterization and crystal structure

  摘要：

  Ferrocenyl and pyridyl methylenepyrans were obtained from a Wittig reaction between a pyran phosphorane and ferrocenyl or pyridyl-aldehydes. The nucleophilic nature of the exocyclic C-C bond allowed the formylation of these compounds by a Vilsmeier type reaction. All the new products were characterized by IR spectroscopy, H-1 and C-13 NMR spectroscopy, mass spectroscopy and (or) elemental analysis. Electrochemistry of representative compounds 2, 10 and 13 was undertaken.In addition, a crystal structure of the ferrocenylpyranylidene aldehyde 5 was described, and the pyrylium character of this compound was specified. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.10.006

文献信息

• Redox-switching of ternary Ni(<scp>ii</scp>) and Cu(<scp>ii</scp>) complexes: synthesis, experimental and theoretical studies along with second-order nonlinear optical properties
  作者：Néstor Novoa、Carolina Manzur、Thierry Roisnel、Vincent Dorcet、Nolwenn Cabon、Françoise Robin-Le Guen、Isabelle Ledoux-Rak、Samia Kahlal、Jean-Yves Saillard、David Carrillo、Jean-René Hamon

  DOI：10.1039/c9nj01774g

  日期：——

  its monomeric precursor 1, whereas the β value of 6 (160 × 10−30 esu) is reduced by half with respect to that of 3. In 5 the anisyl retains its donor ability whereas in 6 the electron-donating character of the oxidized ferrocenyl moiety is cancelled. Optimized geometries of the four compounds 1–4 as well as their electronic structures and that of their respective cations 1+–4+ have been analyzed through

  ONO三齿席夫碱和吡啶基亚甲基吡喃（PyMP）配体[（R-ONO）M（PyMP）]的四个新的三元Ni（II）和Cu（II）配合物（R =茴香基= An：M = Ni 1，Cu 2 ; R ＝二茂铁基＝ Fc：M ＝ Ni 3，Cu 4）是在从R-ONOH 2，硝酸金属（II）盐和PyMP开始的容易的反应条件下合成的。R-ONOH 2表示通过1-茴香基-或1-二茂铁基-丁丹-1,3-二酮和2-氨基苯酚缩合获得的席夫碱配体前体。借助各种物理化学工具（例如CHN分析，IR和UV-可见光谱1）对它们进行了全面表征。抗磁性Ni（II）衍生物1和3的H NMR，顺磁性Cu（II）种类2和4的HRMS 。1-3的分子结构通过双晶X射线衍射方法以及双酚盐桥联的二聚体[Cu 2（μ-ONO-Fc）2（PyMp）2 ]（4'）进行了鉴定，由4的重结晶产生。在1-3中，四坐标的镍和铜原子采用方形平面几何形状，而在4'中，Cu