(E)-4-methyl-N-(4-phenylbut-3-en-2-yl)aniline | 1394171-47-1

• 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: (E)-4-methyl-N-(4-phenylbut-3-en-2-yl)aniline
• CAS: 1394171-47-1
• 化学式: C₁₇H₁₉N
• 分子量: 237.345
• InChiKey: RIXQYFPAQMJIJW-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.51
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (E)-4-methyl-N-(4-phenylbut-3-en-2-yl)aniline 在 disodium ethylenediaminetetraacetic acid 、 碳酸氢钠 、 Oxone 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 生成 (Z)-4-methyl-N-((E)-4-phenylbut-3-en-2-ylidene)aniline oxide 、 (Z)-4-methyl-N-((E)-4-phenylbut-3-en-2-ylidene)aniline oxide
  参考文献：
  名称：

  A modular approach to α,β-unsaturated N-aryl ketonitrones

  摘要：

  A modular approach to alpha,beta-unsaturated N-aryl ketonitrones has been developed. Specifically, condensation of anilines and enals followed by alkylation of the resulting alpha,beta-unsaturated imines provided N-allyl anilines, which were subjected to oxidation with Oxone (R) to form alpha,beta-unsaturated N-aryl ketonitrones. This modular approach is general and provides rapid access to diversely substituted alpha,beta-unsaturated N-aryl ketonitrones with a single purification step in good yields. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.083
• 作为产物：
  描述：

  乙烷,三氯氟- 在 magnesium sulfate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 15.0h， 生成 (E)-4-methyl-N-(4-phenylbut-3-en-2-yl)aniline
  参考文献：
  名称：

  A modular approach to α,β-unsaturated N-aryl ketonitrones

  摘要：

  A modular approach to alpha,beta-unsaturated N-aryl ketonitrones has been developed. Specifically, condensation of anilines and enals followed by alkylation of the resulting alpha,beta-unsaturated imines provided N-allyl anilines, which were subjected to oxidation with Oxone (R) to form alpha,beta-unsaturated N-aryl ketonitrones. This modular approach is general and provides rapid access to diversely substituted alpha,beta-unsaturated N-aryl ketonitrones with a single purification step in good yields. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.083