1,3-bis(3-(2-pyridyl)pyrazol-1-yl)propane | 213775-80-5

• 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: 1,3-bis(3-(2-pyridyl)pyrazol-1-yl)propane
• 英文别名: 2-[1-[3-(3-Pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine；2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine
• CAS: 213775-80-5
• 化学式: C₁₉H₁₈N₆
• 分子量: 330.392
• InChiKey: KEZBMYICIYDVTA-UHFFFAOYSA-N

物化性质

• 沸点：
  557.120±45.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.248±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  silver nitrate 、 1,3-bis(3-(2-pyridyl)pyrazol-1-yl)propane 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A., Journal of the Chemical Society, Dalton Transactions, 1998, # 18, p. 3029 - 3035

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二溴丙烷 、 2-(1H-吡唑-3-基)吡啶 在 sodium hydride 、 四丁基溴化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以82%的产率得到1,3-bis(3-(2-pyridyl)pyrazol-1-yl)propane
  参考文献：
  名称：

  吡啶基吡唑基四齿配体选择性萃取Euro（III）上的III（III）：实验和理论研究

  摘要：

  1,3-双[3-（2-吡啶基）吡唑-1-基]丙烷（Bippp）和1,2-双[3-（2-吡啶基）吡唑-1-甲基]苯（Dbnpp），吡啶基吡唑合成并通过MS，NMR和FT-IR对其进行了表征。通过实验和理论研究了Am（III）和Eu（III）与配体的溶剂萃取和络合行为。在2-溴己酸的存在下，这两个配体可以在HNO 3溶液中以分离因子（SF Am /关于）的范围从15到60。斜率分析表明，Am（III）和Eu（III）均以单溶剂形式提取，这与从X射线晶体学和MS分析观察到的结果非常吻合。从UV-vis滴定得到的Eu（III）与Bippp和Dbnpp配合物的稳定常数（log K）分别为4.75±0.03和4.45±0.04。紫外-可见光滴定法和溶剂萃取研究均表明，Bippp对Eu（III）的亲和力强于Dbnpp，这由密度泛函理论（DFT）计算得到了证实。DFT计算表明，AmL（NO 3）3（L =

  DOI：

  10.1021/acs.inorgchem.5b01452

文献信息

• <i>θ</i>-[Mo₈O₂₆]⁴⁻-based multifunctional hybrid material for high catalytic performance on the cycloaddition of CO₂, esterification and knoevenagel condensation
  作者：Zhengguo Zhang、Hongxiao Lv、Kun Yang、Xiutang Zhang

  DOI：10.1039/d3dt00554b

  日期：——

  Aθ-[Mo₈O₂₆]⁴⁻-based hybrid material of [Cu₂(BPPP)₂]θ-[Mo₈O₂₆]} (NUC-62) exhibits high catalytic performance on the cycloaddition of CO₂with epoxides, esterification of aromatic acid and Knoevenagel condensation of aldehydes and malononitrile.

  基于θ-[Mo8O26]4-的[Cu2(BPPP)2]θ-[Mo8O26]}杂化材料（NUC-62）在二氧化碳与环氧化物的环化反应、芳香酸的酯化反应以及醛与丙二腈的克诺文纳格尔缩合反应中表现出很高的催化性能。
• Coordination versatility of 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: Co(II) and Ni(II) complexes
  作者：Vibha Mishra、Francesc Lloret、Rabindranath Mukherjee

  DOI：10.1016/j.ica.2006.05.005

  日期：2006.9

  The ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane (L) has afforded six-coordinate monomeric and dimeric complexes [(L-8)Co-11 (H2O)(2)][ClO4](2) (1), [(L-8)Ni-II(MeCN)(2)][BPh4](2) (2), [(L-8)Ni-II(O2CMe)][BPh4] (3), and [(L-8)(2)Co-2(II)(mu-O2CMe)(2)][BPh4](2) (4). The crystal structures of 1, 2(.) MeCN, 3, and 4 revealed that the ligand L8 is flexible enough to expand its coordinating ability by fine-tuning the angle between the chelating fragments and hence folds around cobalt(II)/nickel(II) centers to act as a tetradentate chelate, allowing additional coordination by two trans-H2O, cis-MeCN, and a bidentate acetate affording examples of distorted octahedral (CoN2)-N-II (pyridyl) N-2' (pyrazole) O-2 (water), (NiN2)-N-II(pyridyl)N-2'(pyrazole)N-2"(acetonitrile), and (NiN2)-N-II(pyridyl)N-2'(pyrazole)O-2'(acetate) coordination. The angles between the two CoN2/NiN2 planes span a wide range 23.539(1)degrees (1), 76.934(8)degrees (2), and 69.874(14)degrees (3). In contrast, complex 4 is a bis-mu-1,3-acetato-bridged (syn-anti coordination mode) dicobalt(II) complex [(CoCo)-Co-... separation: 4.797(8) angstrom] in which L 8 provides terminal bidentate pyridylpyrazole coordination to each cobalt(II) center. To our knowledge, this report provides first examples of such a coordination versatility of L8. Absorption spectral studies (MeCN solution) have been done for all the complexes. Complexes 1-3 are uniformly high-spin. Temperature-dependent (2-300 K) magnetic studies on 4 reveal weak ferromagnetic exchange coupling ((H) over cap = -JS(1) (.) S-2) between two cobalt(II) (S = 3/2) ions. The best-fit parameters obtained are: Delta (axial splitting parameter) = -765(5) cm(-1), lambda (spin-orbit coupling) = -120(3) cm(-1), k (orbital reduction factor) = 0.93, and J (magnetic exchange coupling constant) = +1.60(2) m(-1). (c) 2006 Elsevier B.V. All rights reserved.