1,2-dihydro-1,6-dimethylfuro<3,2-c>naphth<2,1-e>oxepine-10-12-dione | 126979-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,2-dihydro-1,6-dimethylfuro<3,2-c>naphth<2,1-e>oxepine-10-12-dione
• 英文别名: 4,9-dimethyl-4,5-dihydrofuro[3,2-c]naphtho[2,1-e]oxepine-1,3-dione；Furo[3,2-c]naphth[2,1-e]oxepin-10,12-dione, 1,2-dihydro-1,6-dimethyl-；5,15-dimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),11,13,15,17-hexaene-7,9-dione
• CAS: 126979-79-1
• 化学式: C₁₈H₁₄O₄
• 分子量: 294.307
• InChiKey: LQZYROWRGCEIKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二氢丹参酮I 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 水 、 苯 为溶剂， 25.0 ℃ 、101.33 kPa 条件下， 反应 8.0h， 以81%的产率得到1,2-dihydro-1,6-dimethylfuro<3,2-c>naphth<2,1-e>oxepine-10-12-dione
  参考文献：
  名称：

  Oxygen Insertion of o-Quinone under Catalytic Hydrogenation Conditions

  摘要：

  An oxygen-insertion reaction that transforms an o-quinone and a conjugated alpha-diketone substrate Into an anhydride product or derivative under catalytic hydrogenation conditions is reported. The experiments and computations indicate that the oxygen insertion proceeds via a radical mechanism mediated by an acetoxyl radical.

  DOI：

  10.1021/ol400164e

文献信息

• Oxygen Insertion of <i>o</i>-Quinone under Catalytic Hydrogenation Conditions
  作者：Da-Li Zhang、Li-Yan Zhou、Jun-Min Quan、Wei Zhang、Lian-Quan Gu、Zhi-Shu Huang、Lin-Kun An

  DOI：10.1021/ol400164e

  日期：2013.3.15

  An oxygen-insertion reaction that transforms an o-quinone and a conjugated alpha-diketone substrate Into an anhydride product or derivative under catalytic hydrogenation conditions is reported. The experiments and computations indicate that the oxygen insertion proceeds via a radical mechanism mediated by an acetoxyl radical.