allyl (2,9-bis(2-ethylhexyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-5-yl)carbamate | 1446210-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: allyl (2,9-bis(2-ethylhexyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-5-yl)carbamate
• CAS: 1446210-20-3
• 化学式: C₄₄H₄₇N₃O₆
• 分子量: 713.874
• InChiKey: KYYHPTAGPJEOED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  53.0
• 可旋转键数：
  15.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  113.09
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  allyl (2,9-bis(2-ethylhexyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-5-yl)carbamate 、 3-溴丙烯 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以90%的产率得到prop-2-enyl N-[7,18-bis(2-ethylhexyl)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl]-N-prop-2-enylcarbamate
  参考文献：
  名称：

  A colorimetric and fluorescent sensor based on PBIs for palladium detection

  摘要：

  A novel colorimetric and fluorescent sensor for Pd2+ has been developed based on the Pd-catalyzed deallylation. The sensor displays a highly sensitive and selective response with significant changes in both color (from orange to blue) and fluorescence (quenching). (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.076
• 作为产物：
  描述：

  7,18-Bis(2-ethylhexyl)-11-nitro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone 在 溶剂黄146 、 三乙胺 、 锌 作用下， 以 四氢呋喃 为溶剂， 反应 26.0h， 生成 allyl (2,9-bis(2-ethylhexyl)-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d'e'f']diisoquinolin-5-yl)carbamate
  参考文献：
  名称：

  A colorimetric and fluorescent sensor based on PBIs for palladium detection

  摘要：

  A novel colorimetric and fluorescent sensor for Pd2+ has been developed based on the Pd-catalyzed deallylation. The sensor displays a highly sensitive and selective response with significant changes in both color (from orange to blue) and fluorescence (quenching). (C) 2013 The Authors. Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.076