3-isopropyl-4-methyl-2H-chromen-2-one | 1313865-86-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-isopropyl-4-methyl-2H-chromen-2-one
• 英文别名: 4-Methyl-3-propan-2-ylchromen-2-one；4-methyl-3-propan-2-ylchromen-2-one
• CAS: 1313865-86-9
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: ZCCZQLUYEMHFOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  甲基異丙基乙炔 、 2-cyanophenyl 4-(dimethylamino)benzoate 在 bis(1,5-cyclooctadiene)nickel (0) 、 甲铝双(2,6-二叔丁基-4-苯甲醚) 、 三苄基膦 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以56%的产率得到4-isopropyl-3-methyl-2H-chromen-2-one
  参考文献：
  名称：

  Nickel-Catalyzed Cycloaddition ofo-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon–Carbon σ Bonds

  摘要：

  An intermolecular cycloaddition reaction has been developed, where o-arylcarboxybenzonitriles react with alkynes to afford coumarins in the presence of Ni(0)/P(CH(2)Ph)(3)/MAD as a catalyst. The reaction process displays an unusual mechanistic feature the cleavage of two independent C-CN and C-CO bonds.

  DOI：

  10.1021/ja203829j

文献信息

• METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW
  申请人：Bridgestone Corporation

  公开号：US20140187725A1

  公开（公告）日：2014-07-03

  A method for preparing a coupled polymer, the method comprising the steps of: (i) polymerizing monomer to form a reactive polymer, and (ii) reacting the reactive polymer with coumarin or a substituted coumarin compound.
• US9127092B2
  申请人：——

  公开号：US9127092B2

  公开（公告）日：2015-09-08
• Nickel-Catalyzed Cycloaddition of<i>o</i>-Arylcarboxybenzonitriles and Alkynes via Cleavage of Two Carbon–Carbon σ Bonds
  作者：Kenichiro Nakai、Takuya Kurahashi、Seijiro Matsubara

  DOI：10.1021/ja203829j

  日期：2011.7.27

  An intermolecular cycloaddition reaction has been developed, where o-arylcarboxybenzonitriles react with alkynes to afford coumarins in the presence of Ni(0)/P(CH(2)Ph)(3)/MAD as a catalyst. The reaction process displays an unusual mechanistic feature the cleavage of two independent C-CN and C-CO bonds.