| 158813-04-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 158813-04-8
• 化学式: C₁₈H₃₂N₂O₂
• 分子量: 308.464
• InChiKey: IEEAXJFVRFPAAG-UHFFFAOYSA-N

物化性质

• 沸点：
  482.3±40.0 °C(predicted)
• 密度：
  0.950±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  22.0
• 可旋转键数：
  13.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 cobalt(II) diacetate tetrahydrate 以 乙醇 为溶剂， 以39%的产率得到
  参考文献：
  名称：

  Synthesis and Physicochemical Properties of Some β‐Ketoaminato Cobalt(II) Chelates and Their Adducts with 2,2′‐Bipyridine and 1,10‐Phenanthroline

  摘要：

  The cobalt(II) beta-ketoamines complexes {Co[CH3C(O)CHC(CH3)NR](2); R = CH3, CH2(OH)CH2, C4H9} and ketoiminates {Co[CH3C(O)CH(CH3) C(-N(CH2)(n)N-)C(CH3)CHC(O)CH3]} and their adducts with 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen) have been synthesized and characterized by elemental analyses, magnetic susceptibility, conductivity, infrared, and electronic spectral measurements. The ligands coordinate to the cobalt ion in a bidentate manner using the N2O2 chromophore. The effective magnetic moments (mu(eff)) observed for the complexes are in the range of 4.20-5.30 BM. Electronic spectra results and magnetic susceptibility measurements are consistent with the adoption of a four-coordinate geometry for the cobalt(II) chelates and a six-coordinate octahedral geometry for the 2,2'-bipyridine and 1,10-phenanthroline adducts. The available conductance data in nitromethane indicates that the compounds are non-electrolytes.

  DOI：

  10.1081/sim-200026294
• 作为产物：
  描述：

  1,8-辛二胺 、 乙酰丙酮 在 ammonium cerium (IV) nitrate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  高速振动研磨促进了包含两个或三个吡咯单元的对称骨架的合成。

  摘要：

  由芳基酮原位制备的β-二羰基化合物（2个分子），二胺和α-碘酮（2个分子）之间的拟五组分反应是在机械化学条件下有效进行的，该过程涉及用单个锆进行高速振动研磨氧化球。该反应提供了对称的骨架，该骨架包含两个通过间隔基连接的吡咯或稠合吡咯单元，这在探索用于药物发现目的的化学空间中是令人感兴趣的。该方法还扩展到通过假七组分反应合成包含三个相同吡咯片段的一种化合物。通过一种不同的方法可以达到在其间隔链中具有双键的化合物，该方法涉及通过应用交叉复分解化学方法使1-烯丙基或1-同烯丙基吡咯均一二聚化。

  DOI：

  10.3762/bjoc.13.190

文献信息

• SYNTHESIS AND CHARACTERISATION OF SOME NICKEL(II)<font>β</font>-KETOAMINES AND THEIR ADDUCTS WITH 2,2′-BIPYRIDINE AND 1,10-PHENANTHROLINE
  作者：A. A. Osowole、J. A. O. Woods、O. A. Odunola

  DOI：10.1081/sim-120004446

  日期：2002.5.28

  A series of nickel(11) beta-ketoimine complexes, Ni[CH3C(O)CHC(CH3)NR](2), R = CH3, C4H9}, and ketoiminates, Ni[CH3C(O)CH(CH3)C(-N(CH2)(n)N-)C(CH3)CHC(O)CH3], n = 2, 6, 8, 91, and their adducts with 2,2-bipyridine (bipy) and 1,10-phenanthroline (phen) have been synthesized and characterized using elemental analyses, magnetic susceptibility, conductivity, infrared and electronic spectral measurements. The ketoimine ligands coordinate to the nickel atom in a bidentate fashion using the N2O2 chromophore. A range of stereochemistries was observed for the nickel(II) ketoiminates from four-coordinate tetrahedral and square-planar geometry to six-coordinate octahedral geometry. Conductivity measurements indicate that the compounds are non-electrolytes. The influence of bridging chain lengthening on the adopted geometry is discussed and possible structures for the compounds are suggested.