(Z)-4-(m-tolylamino)hex-4-en-3-one | 1424002-50-5

• 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: (Z)-4-(m-tolylamino)hex-4-en-3-one
• CAS: 1424002-50-5
• 化学式: C₁₃H₁₇NO
• 分子量: 203.284
• InChiKey: DARZVFVBUXXZKG-QCDXTXTGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (Z)-4-(m-tolylamino)hex-4-en-3-one 在 一氧化碳 、 、 氢气 作用下， 以 四氢呋喃 为溶剂， 120.0 ℃ 、3.1 MPa 条件下， 反应 30.0h， 以93%的产率得到4-(m-tolylamino)hexan-3-one
  参考文献：
  名称：

  Hydrogenation of α-enaminoketones with cobalt phosphine-modified catalysts

  摘要：

  The synthesis of alpha-enamines and hydrogenation of these compounds were studied using cobalt-modified complexes. Cobalt complexes were characterized by H-1, C-13 and P-31 NMR, elemental analysis and IR spectroscopy. Furthermore, the molecular structures of complexes C1-C2 and C4-C5 have been determined by single-crystal X-ray diffraction. All cobalt complexes investigated were active catalysts for the hydrogenation reaction. The best catalytic activity was obtained with an ortho-substituent in the phosphine ligand. Noteworthy, the reduction was chemoselective over the double bond. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2012.12.025
• 作为产物：
  描述：

  3,4-己二酮 、 3-甲基苯胺 在 magnesium(II) perchlorate 、 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 以83%的产率得到(Z)-4-(m-tolylamino)hex-4-en-3-one
  参考文献：
  名称：

  Hydrogenation of α-enaminoketones with cobalt phosphine-modified catalysts

  摘要：

  The synthesis of alpha-enamines and hydrogenation of these compounds were studied using cobalt-modified complexes. Cobalt complexes were characterized by H-1, C-13 and P-31 NMR, elemental analysis and IR spectroscopy. Furthermore, the molecular structures of complexes C1-C2 and C4-C5 have been determined by single-crystal X-ray diffraction. All cobalt complexes investigated were active catalysts for the hydrogenation reaction. The best catalytic activity was obtained with an ortho-substituent in the phosphine ligand. Noteworthy, the reduction was chemoselective over the double bond. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.catcom.2012.12.025