1-benzyl-4-(4-methoxyphenyl)-1-azabuta-1,3-diene | 1277149-85-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-benzyl-4-(4-methoxyphenyl)-1-azabuta-1,3-diene
• 英文别名: (E)-N-benzyl-3-(4-methoxyphenyl)prop-2-en-1-imine
• CAS: 1277149-85-5
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: UFRJEVKCGRQXDM-KHXWKLFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-benzyl-4-(4-methoxyphenyl)-1-azabuta-1,3-diene 在 Oxone 、 四丁基溴化铵 、 碳酸氢钠 作用下， 以 水 、 甲苯 为溶剂， 反应 0.08h， 生成 (2E)-N-benzyl-3-(4-methoxyphenyl)acrylimidoyl cyanide
  参考文献：
  名称：

  Synthesis of Iminonitriles by Oxone/TBAB-Mediated One-Pot Oxidative Three-Component Strecker Reaction

  摘要：

  Oxidative three-component reaction of aldehydes, amines, and TMSCN in a biphasic solvent system (toluene/H2O) containing Oxone, tetra-n-butylammonium bromide (TBAB) and sodium bicarbonate afforded alpha-iminonitriles in good to excellent yields. This oxidative Strecker reaction was applicable to a wide range of aldehydes and amines, aromatic or aliphatic, of different electronic and steric properties. Substituted 1-aza-2-cyano-1,3-dienes were also accessible using alpha,beta-unsaturated aldehydes as inputs.

  DOI：

  10.1055/s-0032-1316908
• 作为产物：
  描述：

  4-甲氧基肉桂醛 、 苄胺 以 甲苯 为溶剂， 生成 1-benzyl-4-(4-methoxyphenyl)-1-azabuta-1,3-diene
  参考文献：
  名称：

  Synthesis of Iminonitriles by Oxone/TBAB-Mediated One-Pot Oxidative Three-Component Strecker Reaction

  摘要：

  Oxidative three-component reaction of aldehydes, amines, and TMSCN in a biphasic solvent system (toluene/H2O) containing Oxone, tetra-n-butylammonium bromide (TBAB) and sodium bicarbonate afforded alpha-iminonitriles in good to excellent yields. This oxidative Strecker reaction was applicable to a wide range of aldehydes and amines, aromatic or aliphatic, of different electronic and steric properties. Substituted 1-aza-2-cyano-1,3-dienes were also accessible using alpha,beta-unsaturated aldehydes as inputs.

  DOI：

  10.1055/s-0032-1316908

文献信息

• Novel azole or triazole derivatives, method for preparing the same and use thereof as antifungal medicaments
  申请人：——

  公开号：US20040192922A1

  公开（公告）日：2004-09-30

  The invention concerns novel azole or triazole derivatives of formula (I), wherein: X, Ar 1 , Ar 3 , A, R 1 , R 5 , R 6 , R 7 and B are such as defined in the description, their preparation method and their use as antifungal medicines. 1

  这项发明涉及式(I)的新颖咪唑或三唑衍生物，其中：X、Ar1、Ar3、A、R1、R5、R6、R7和B的定义如描述中所述，它们的制备方法以及它们作为抗真菌药物的用途。
• Enantioselective Rhodium-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Isocyanates
  作者：Kevin M. Oberg、Tomislav Rovis

  DOI：10.1021/ja200766k

  日期：2011.4.6

  A [4 + 2] cycloaddition of alpha,beta-unsaturated imines and isocyanates catalyzed by a phosphoramidite rhodium complex provides pyrimidinones in good yields and high enantioselectivities.