13,14-bis(4-(trifluoromethyl)phenyl)benzo[1,2-c:6,5-c']dichromene-6,7-dione | 1608125-97-8

• 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: 13,14-bis(4-(trifluoromethyl)phenyl)benzo[1,2-c:6,5-c']dichromene-6,7-dione
• 英文别名: 12,13-Bis[4-(trifluoromethyl)phenyl]-4,21-dioxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5,7,9,12,15,17,19-nonaene-3,22-dione；12,13-bis[4-(trifluoromethyl)phenyl]-4,21-dioxapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1(14),2(11),5,7,9,12,15,17,19-nonaene-3,22-dione
• CAS: 1608125-97-8
• 化学式: C₃₄H₁₆F₆O₄
• 分子量: 602.489
• InChiKey: IMUOELCDJQKXLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  44
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  bis(2-((4-(trifluoromethyl)phenyl)ethynyl)phenyl) fumarate 在 carbon monoxide,cobalt,cyclopenta-1,3-diene 、 iron(III) chloride hexahydrate 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 7.0h， 以5%的产率得到13,14-bis(4-(trifluoromethyl)phenyl)benzo[1,2-c:6,5-c']dichromene-6,7-dione
  参考文献：
  名称：

  Co(I) catalyzed yne–ene–yne [2+2+2] cycloaddition: synthesis of highly strained pentacyclic bis-lactones. A new access to tetraaryl N-hydroxyphthalimides

  摘要：

  Highly strained pentacyclic bis-lactones can be obtained by an unusual Co(I) catalyzed [2+2+2] cycloaddition of an yne-ene-yne diester substrate. These bis-lactones can be further transformed into tetraaryl N-hydroxyphthalimides which are potential aerobic oxidation organocatalysts. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.081

文献信息

• Co(I) catalyzed yne–ene–yne [2+2+2] cycloaddition: synthesis of highly strained pentacyclic bis-lactones. A new access to tetraaryl N-hydroxyphthalimides
  作者：Jérôme Michaux、Rémi Poirot、Jacques Einhorn、Bernard Bessières

  DOI：10.1016/j.tetlet.2014.03.081

  日期：2014.4

  Highly strained pentacyclic bis-lactones can be obtained by an unusual Co(I) catalyzed [2+2+2] cycloaddition of an yne-ene-yne diester substrate. These bis-lactones can be further transformed into tetraaryl N-hydroxyphthalimides which are potential aerobic oxidation organocatalysts. (C) 2014 Elsevier Ltd. All rights reserved.