3-(2,6-Dimethylanilino)-1-phenylbut-2-en-1-one | 1110698-91-3

• 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: 3-(2,6-Dimethylanilino)-1-phenylbut-2-en-1-one
• CAS: 1110698-91-3
• 化学式: C₁₈H₁₉NO
• 分子量: 265.355
• InChiKey: WEWPLKMYCLTBKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  四氢呋喃 、 3-(2,6-Dimethylanilino)-1-phenylbut-2-en-1-one 在 正丁基锂 作用下， 以 正己烷 为溶剂， 反应 4.0h， 以57%的产率得到
  参考文献：
  名称：

  A facile route to lithium complexes supported by β-ketoiminate ligands and their reactivity

  摘要：

  Several beta-ketoiminate lithium complexes Li-2(L)(2)center dot 2(THF)(6-10) were conveniently synthesized by using 1 equiv. of n-BuLi with 1 equiv. of beta-ketoiminate ligands (1-5) in THF-hexane at 60 degrees C. All the new complexes have been characterized by NMR and IR spectroscopy. Complexes (8-10) were determined by single crystal X-ray diffraction. All the lithium complexes showed high activity for the ring-opening polymerization (ROP) of L-lactide to give the polyesters with relative narrow molecular weight distributions (Mw/Mn = 1.42-1.87). Complex 10 showed the highest activity toward ROP of L-LA. Moreover, the results proved that the polymerization initiated by complex 10 proceeded in a controllable fashion. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.09.027
• 作为产物：
  描述：

  2,6-二甲基苯胺 、 1-苯基-1,3-丁二酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 3-(2,6-Dimethylanilino)-1-phenylbut-2-en-1-one
  参考文献：
  名称：

  Synthesis and characterisation of bis(β-ketoaminato) complexes of cobalt(ii)

  摘要：

  1-苯基-1,3-丁二酮与各种取代的苯胺缩合后得到N-芳基取代的δ-酮胺PhC(O)CHC(CH3)Naryl，将其去质子化并与Co(OAc)2Â-4H2O反应后得到一系列双(δ-酮胺)钴(II)配合物1b至6b（芳基=Ph，1b；对-CH3C6H4，2b；2,6-(CH3)2C6H3，3b；3,5-(CH3)2C6H3，4b；对-CF3C6H4，5b；对-CH3OC6H4，6b）。所有六种钴化合物都通过 1H NMR、元素分析、磁感应强度和 X 射线晶体学进行了表征，结果表明所有化合物都具有统一的四面体几何形状。电化学氧化电位表明，该化合物对正位和对位芳基取代敏感，但对元取代不敏感，这一结论得到了 DFT 计算的支持。

  DOI：

  10.1039/b921153e

文献信息

• A facile route to lithium complexes supported by β-ketoiminate ligands and their reactivity
  作者：Zhen Liu、Hong-Xia Chen、Dan Huang、Yong Zhang、Ying-Ming Yao

  DOI：10.1016/j.jorganchem.2013.09.027

  日期：2014.1

  Several beta-ketoiminate lithium complexes Li-2(L)(2)center dot 2(THF)(6-10) were conveniently synthesized by using 1 equiv. of n-BuLi with 1 equiv. of beta-ketoiminate ligands (1-5) in THF-hexane at 60 degrees C. All the new complexes have been characterized by NMR and IR spectroscopy. Complexes (8-10) were determined by single crystal X-ray diffraction. All the lithium complexes showed high activity for the ring-opening polymerization (ROP) of L-lactide to give the polyesters with relative narrow molecular weight distributions (Mw/Mn = 1.42-1.87). Complex 10 showed the highest activity toward ROP of L-LA. Moreover, the results proved that the polymerization initiated by complex 10 proceeded in a controllable fashion. (C) 2013 Elsevier B. V. All rights reserved.
• Synthesis and characterisation of bis(β-ketoaminato) complexes of cobalt(ii)
  作者：Kiyoshi C. D. Robson、Cory D. Phillips、Brian O. Patrick、W. Stephen McNeil

  DOI：10.1039/b921153e

  日期：——

  Condensation of 1-phenyl-1,3-butanedione with various substituted anilines affords N-aryl substituted β-ketoamines PhC(O)CHC(CH3)Naryl, which, when deprotonated and reacted with Co(OAc)2·4H2O yields a series of bis(β-ketoaminato)cobalt(II) complexes 1b to 6b (aryl = Ph, 1b; p-CH3C6H4, 2b; 2,6-(CH3)2C6H3, 3b; 3,5-(CH3)2C6H3, 4b; p-CF3C6H4, 5b; p-CH3OC6H4, 6b). All six cobalt compounds were characterised by 1H NMR, elemental analysis, magnetic susceptibility, and X-ray crystallography, indicating a uniform tetrahedral geometry in all cases. Electrochemical oxidation potentials indicate sensitivity to aryl substitution at the ortho- and para- positions, but not to meta-substitution, a conclusion supported by DFT calculations.

  1-苯基-1,3-丁二酮与各种取代的苯胺缩合后得到N-芳基取代的δ-酮胺PhC(O)CHC(CH3)Naryl，将其去质子化并与Co(OAc)2Â-4H2O反应后得到一系列双(δ-酮胺)钴(II)配合物1b至6b（芳基=Ph，1b；对-CH3C6H4，2b；2,6-(CH3)2C6H3，3b；3,5-(CH3)2C6H3，4b；对-CF3C6H4，5b；对-CH3OC6H4，6b）。所有六种钴化合物都通过 1H NMR、元素分析、磁感应强度和 X 射线晶体学进行了表征，结果表明所有化合物都具有统一的四面体几何形状。电化学氧化电位表明，该化合物对正位和对位芳基取代敏感，但对元取代不敏感，这一结论得到了 DFT 计算的支持。