4-(5-methylfuran-2-yl)-4-phenylbutan-2-one | 57056-08-3

• 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: 4-(5-methylfuran-2-yl)-4-phenylbutan-2-one
• 英文别名: 4-(5-methylfuran-2-yl)butan-2-one；4-(5-methyl-furan-2-yl)-4-phenyl-butan-2-one
• CAS: 57056-08-3
• 化学式: C₁₅H₁₆O₂
• 分子量: 228.291
• InChiKey: FTCXYFRZBIEFFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基呋喃 、 苄叉丙酮 在 palladium dichloride 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以98%的产率得到4-(5-methylfuran-2-yl)-4-phenylbutan-2-one
  参考文献：
  名称：

  Palladium-Catalyzed Direct 1,4-Addition of Heteroarenes to α,β-Unsaturated Ketones via C-H Activation

  摘要：

  Palladium-catalyzed direct conjugate additions of heteroarenes to alpha,beta-unsaturated ketones via C-H activation are described. The reactions of heteroarenes with alpha,beta-unsaturated ketones proceeded smoothly in the presence of PdCl2 as a catalyst under mild conditions to give the corresponding Michael adducts in moderate to excellent yields.

  DOI：

  10.1055/s-0031-1290382

文献信息

• Copper(II) bromide-catalyzed conjugate addition of furans to α,β-unsaturated carbonyl compounds
  作者：Alexander A. Fadeev、Maxim G. Uchuskin、Igor V. Trushkov、Anton S. Makarov

  DOI：10.1007/s10593-018-2206-1

  日期：2017.12

  A simple method for the synthesis of 2-(3-oxoalkyl)furan derivatives based on conjugate addition of 2-substituted furans to various α,β-unsaturated carbonyl compounds in the presence of copper(II) bromide as catalyst was developed.

  开发了一种简单的合成2-（3-氧代烷基）呋喃衍生物的方法，该方法是在溴化铜（II）存在下，将2-取代的呋喃共轭加成到各种α，β-不饱和羰基化合物上。
• AXMEDOV SH. T.; SADYXOV N. S.; AXMEDOVA R. SH.; ZEFIROV N. S., XIMIYA GETEROTSIKL. SOEDIN. <KGSS-AQ>, 1975, HO 6, 736-737
  作者：AXMEDOV SH. T.、 SADYXOV N. S.、 AXMEDOVA R. SH.、 ZEFIROV N. S.

  DOI：——

  日期：——
• Palladium-Catalyzed Direct 1,4-Addition of Heteroarenes to α,β-Unsaturated Ketones via C-H Activation
  作者：Xiaoqiang Yu、Ming Bao、Xuan Zhang、Xiujuan Feng

  DOI：10.1055/s-0031-1290382

  日期：2012.7

  Palladium-catalyzed direct conjugate additions of heteroarenes to alpha,beta-unsaturated ketones via C-H activation are described. The reactions of heteroarenes with alpha,beta-unsaturated ketones proceeded smoothly in the presence of PdCl2 as a catalyst under mild conditions to give the corresponding Michael adducts in moderate to excellent yields.