1-(4-methylphenyl)-3-(4-pyridyl)-1,3-propandione | 1096913-33-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-methylphenyl)-3-(4-pyridyl)-1,3-propandione
• 英文别名: 1-(4-pyridyl)-3-(p-tolyl)-1,3-propanedione；1-(4-Methylphenyl)-3-pyridin-4-ylpropane-1,3-dione
• CAS: 1096913-33-5
• 化学式: C₁₅H₁₃NO₂
• mdl: MFCD11539374
• 分子量: 239.274
• InChiKey: KCOPIHSPRGJNGK-UHFFFAOYSA-N

物化性质

• 沸点：
  434.1±30.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-methylphenyl)-3-(4-pyridyl)-1,3-propandione 在 一水合肼 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 8.0h， 生成 1-acetyl-3-(4-pyridyl)-5-(4-methylphenyl)pyrazole
  参考文献：
  名称：

  SYNTHESIS AND ANTI-MICROBIAL ACTIVITIES OF 1,3,5-TRISUBSTITUTED-PYRAZOLE DERIVATIVES CONTAINING A PYRIDYL MOIETY

  摘要：

  Claisen condensation of ethyl isonicotinate with different acetophenones gave the corresponding pyridyl-beta-diketones, while the treatment with hydrazine hydrate yielded 3,5-disubstituted-1H-pyrazoles, which then converted 1,3,5-trisubstituted-pyrazole derivatives containing a pyridyl moiety by N-acylation with acyl chloride. The structures of all newly synthesized compounds are established by FTIR, H-1 NMR, mass spectroscopy and elemental analysis, and in the case of compound 2e, analyzed by single-crystal X-ray diffraction further. The anti-microbial activities of the title compounds have been tested by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. The results showed that compounds 3c and 4c exhibited good inhibitory activity against all the tested organisms.

  DOI：

  10.4067/s0717-97072015000100018
• 作为产物：
  描述：

  异烟酸甲酯 、 对甲基苯乙酮 在 sodium ethanolate 作用下， 以 四氢呋喃 为溶剂， 反应 10.17h， 以52%的产率得到1-(4-methylphenyl)-3-(4-pyridyl)-1,3-propandione
  参考文献：
  名称：

  当Cu4I4古巴遇到Cu3（吡唑酸酯）3三角形时：在可逆热致变色配位聚合物中起作用的两个经典发光体之间的动态相互作用。

  摘要：

  报告了一个超分子双发射系统，该系统结合了两个经典的基于铜（I）-簇的发光体，即Cu（4）I（4）和Cu（3）Pz（3）（Pz =吡唑酸酯）。目标发光配位聚合物表现出从绿色到橙红色的可逆热致变色。

  DOI：

  10.1039/c1cc14303d

文献信息

• SYNTHESIS AND ANTI-MICROBIAL ACTIVITIES OF 1,3,5-TRISUBSTITUTED-PYRAZOLE DERIVATIVES CONTAINING A PYRIDYL MOIETY
  作者：DUN-JIA WANG、HUA LIU、YAN-FANG KANG、YAN-JUN HU、XIAN-HONG WEI

  DOI：10.4067/s0717-97072015000100018

  日期：——

  Claisen condensation of ethyl isonicotinate with different acetophenones gave the corresponding pyridyl-beta-diketones, while the treatment with hydrazine hydrate yielded 3,5-disubstituted-1H-pyrazoles, which then converted 1,3,5-trisubstituted-pyrazole derivatives containing a pyridyl moiety by N-acylation with acyl chloride. The structures of all newly synthesized compounds are established by FTIR, H-1 NMR, mass spectroscopy and elemental analysis, and in the case of compound 2e, analyzed by single-crystal X-ray diffraction further. The anti-microbial activities of the title compounds have been tested by disc diffusion method against Escherichia coli, Staphylococcus aureus, Pyricularia oryzae and Rhizoctnia solani. The results showed that compounds 3c and 4c exhibited good inhibitory activity against all the tested organisms.
• When Cu4I4 cubane meets Cu3(pyrazolate)3 triangle: dynamic interplay between two classical luminophores functioning in a reversibly thermochromic coordination polymer
  作者：Shun-Ze Zhan、Mian Li、Xiao-Ping Zhou、Jun-Hao Wang、Ju-Rong Yang、Dan Li

  DOI：10.1039/c1cc14303d

  日期：——

  A supramolecular dual emissive system incorporating two classical copper(I)-cluster-based luminophores, namely, Cu(4)I(4) and Cu(3)Pz(3) (Pz = pyrazolate), is reported. The targeted luminescent coordination polymer exhibits reversible thermochromism spanning from green to orange-red.

  报告了一个超分子双发射系统，该系统结合了两个经典的基于铜（I）-簇的发光体，即Cu（4）I（4）和Cu（3）Pz（3）（Pz =吡唑酸酯）。目标发光配位聚合物表现出从绿色到橙红色的可逆热致变色。