4-(butylamino)-3-chloropent-3-en-2-one | 446840-36-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(butylamino)-3-chloropent-3-en-2-one
• CAS: 446840-36-4
• 化学式: C₉H₁₆ClNO
• 分子量: 189.685
• InChiKey: VCSWZNKNIYYAMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(butylamino)-3-chloropent-3-en-2-one 以 乙醇 、 氯仿 为溶剂， 生成 copper;butyl-[(Z)-3-chloro-4-oxopent-2-en-2-yl]azanide;1,10-phenanthroline
  参考文献：
  名称：

  Synthesis and Physico‐Chemical Properties of Some Copper(II) β‐Ketoamines and Their Adducts with 2,2′‐Bipyridine and 1,10‐Phenanthroline

  摘要：

  The copper(H) beta-ketoamine complexes, {Cu[CH3C(O)C(Cl)C(CH3)NR](2), R = CH3,C4H9} and ketoiminates, {Cu[CH3C(O)C(Cl)(CH3)C(-N(CH2)(n)-N-)C(CH3)(Cl)CC(O)CH3], n = 2, 6, 8, 9} and their 2,2-bipyridine (bipy) and 1,10-phenanthroline (phen) adducts have been synthesized and characterized by elemental analyses, conductance, magnetic susceptibility, infrared and electronic spectral measurements. The available conductance data in nitromethane indicate, that the compounds are non-electrolytes while the room temperature magnetic moments (1.88-2.20 B.M.) suggests the absence of magnetic interaction between the Cu(II) ions. The ketoimine ligands coordinate to the copper atom in a bidentate fashion using the N2O2 chromophore to give a four-coordinate square-planar geometry. Infrared and electronic spectra results are consistent with the adoption of a six-coordinate octahedral arrangement for the adducts of the copper(II) complexes with 2,2'-bipyridine and 1,10-phenanthroline. Probable structures for the compounds are suggested.

  DOI：

  10.1081/sim-120017777