(3E)-3-[(4-Chlorophenyl)imino]butan-2-one | 87277-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3E)-3-[(4-Chlorophenyl)imino]butan-2-one
• 英文别名: 3-(4-chlorophenyl)iminobutan-2-one
• CAS: 87277-48-3
• 化学式: C₁₀H₁₀ClNO
• 分子量: 195.648
• InChiKey: PZIKZRIBTMATCC-UHFFFAOYSA-N

物化性质

• 熔点：
  175 °C
• 沸点：
  296.2±42.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3E)-3-[(4-Chlorophenyl)imino]butan-2-one 在 palladium/alumina 氢气 作用下， 以 正己烷 为溶剂， 生成 3-(4-Chloroanilino)butan-2-one
  参考文献：
  名称：

  Alcaide, Benito; Arjona, Odon; Pradilla, Roberto Fernandez de la, Journal of Chemical Research, Miniprint, 1988, # 3, p. 932 - 957

  摘要：

  DOI：
• 作为产物：
  描述：

  对氯苯胺 、 2,3-丁二酮 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 (3E)-3-[(4-Chlorophenyl)imino]butan-2-one
  参考文献：
  名称：

  新型庞大的苯基桥接α-二亚胺双核配体的合成、表征和晶体结构

  摘要：

  AbstractA series of sterically and electronically modulated phenyl‐bridged α‐diimine ligands L1–L6 of the general formula Ar‐N=C(Me)‐C(Me)=N‐C6H4‐N=C(Me)‐C(Me)=N‐Ar have been synthesized (L1 : Ar = 2,6‐iPr2‐C6H3; L2: Ar = 2,6‐Me2‐C6H3; L3: 4‐Me‐C6H4; L4: Ar = 4‐Et‐C6H4; L5: Ar = 2,4,6‐Cl3‐C6H2; L6: Ar = 4‐Cl‐C6H4). All of which have been characterized by 1H NMR, 13C NMR, IR, and elemental analysis. In addition, the effect of the electronic modification was studied by UV–Vis spectroscopy, and the structure of a representative ligand was confirmed by single‐crystal X‐ray diffraction. Moreover, a DFT electronic structure of the same ligand has been determined.

  DOI：

  10.1002/hc.21424

文献信息

• Synthesis of 5-Acyl-3,4-diaryl-4,5-dihydro-1,2,4-oxadiazoles
  作者：Benito Alcaide、Gerardo Escobar、Rafael Pérez-Ossorio、Joaquin Plumet

  DOI：10.1055/s-1983-30395

  日期：——
• Synthesis, characterization, and crystal structure of novel bulky phenyl-bridged α-diimine binucleating ligands
  作者：Ali Mechria、Moncef Msaddek

  DOI：10.1002/hc.21424

  日期：2018.5

  AbstractA series of sterically and electronically modulated phenyl‐bridged α‐diimine ligands L1–L6 of the general formula Ar‐N=C(Me)‐C(Me)=N‐C6H4‐N=C(Me)‐C(Me)=N‐Ar have been synthesized (L1 : Ar = 2,6‐iPr2‐C6H3; L2: Ar = 2,6‐Me2‐C6H3; L3: 4‐Me‐C6H4; L4: Ar = 4‐Et‐C6H4; L5: Ar = 2,4,6‐Cl3‐C6H2; L6: Ar = 4‐Cl‐C6H4). All of which have been characterized by 1H NMR, 13C NMR, IR, and elemental analysis. In addition, the effect of the electronic modification was studied by UV–Vis spectroscopy, and the structure of a representative ligand was confirmed by single‐crystal X‐ray diffraction. Moreover, a DFT electronic structure of the same ligand has been determined.
• Alcaide, Benito; Arjona, Odon; Pradilla, Roberto Fernandez de la, Journal of Chemical Research, Miniprint, 1988, # 3, p. 932 - 957
  作者：Alcaide, Benito、Arjona, Odon、Pradilla, Roberto Fernandez de la、Plumet, Joaquin、Rodriguez-Campos, Ignacio M.、Santesmases, Maria J.

  DOI：——

  日期：——