methyl 9-phenyl-10-n-propyl-7-(trifluoromethyl)-6H-benzo[c]chromene-8-carboxylate | 1373824-00-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: methyl 9-phenyl-10-n-propyl-7-(trifluoromethyl)-6H-benzo[c]chromene-8-carboxylate
• CAS: 1373824-00-0
• 化学式: C₂₅H₂₁F₃O₃
• 分子量: 426.435
• InChiKey: CKGMPWOIWVYDFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.67
• 重原子数：
  31.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  methyl 9-hydroxy-10-n-propyl-7-(trifluoromethyl)-6H-benzo[c]chromene-8-carboxylate 在 吡啶 、 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 9.17h， 生成 methyl 9-phenyl-10-n-propyl-7-(trifluoromethyl)-6H-benzo[c]chromene-8-carboxylate
  参考文献：
  名称：

  [3+3] Cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes—a new approach to diverse CF3-substituted fluorenes, dibenzofurans, 9,10-dihydrophenanthrenes and 6H-benzo[c]chromenes

  摘要：

  Trifluoromethyl-substituted fluorenes, dibenzofurans, 9,10-dihydrophenanthrenes and 6H-benzo[c] chromenes were prepared by formal [3+3] cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes. The reactions proceeded with very good regioselectivity. The product distribution depends on the type of 1,3-dielectrophile employed and can be explained by electronic reasons. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.101

文献信息

• [3+3] Cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes—a new approach to diverse CF3-substituted fluorenes, dibenzofurans, 9,10-dihydrophenanthrenes and 6H-benzo[c]chromenes
  作者：Stefan Büttner、Nazken K. Kelzhanova、Zharylkasyn A. Abilov、Alexander Villinger、Peter Langer

  DOI：10.1016/j.tet.2012.01.101

  日期：2012.5

  Trifluoromethyl-substituted fluorenes, dibenzofurans, 9,10-dihydrophenanthrenes and 6H-benzo[c] chromenes were prepared by formal [3+3] cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-butadienes. The reactions proceeded with very good regioselectivity. The product distribution depends on the type of 1,3-dielectrophile employed and can be explained by electronic reasons. (C) 2012 Elsevier Ltd. All rights reserved.