| 1384518-50-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 1384518-50-6
• 化学式: C₅₃H₇₂N₄O₆
• 分子量: 861.178
• InChiKey: WHMZDNXUTLGGHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.44
• 重原子数：
  63.0
• 可旋转键数：
  30.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  127.57
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  以 二氯甲烷 为溶剂， 生成 Dimethyl 2,7-bis[2-(dodec-11-enylamino)-2-oxoethyl]-2',4'a-dimethylspiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVIII: palladium-catalyzed Negishi coupling for the synthesis of photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group

  摘要：

  Eight new photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group have been synthesized via palladium-catalyzed Negishi coupling. Polychromatic light irradiation of the photochromic dihydro 5-azaindolizines (DHAIs) led to ring-opened colored betaines which underwent reversible thermal 1,5-electrocyclization into their corresponding DHAIs in the second domain. The noteworthy multiaddressable photochromic properties are useful for a plethora of new applications for these materials such as anchoring the ethylene group to metal-oxide nanoparticles. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.039
• 作为产物：
  描述：

  Dimethyl 2,7-bis[2-(dodec-11-enylamino)-2-oxoethyl]-2',4'a-dimethylspiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate 生成
  参考文献：
  名称：

  Photochromism of dihydroindolizines. Part XVIII: palladium-catalyzed Negishi coupling for the synthesis of photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group

  摘要：

  Eight new photochromic dihydro 5-azaindolizine-linker-conjugates with a terminal ethylene anchoring group have been synthesized via palladium-catalyzed Negishi coupling. Polychromatic light irradiation of the photochromic dihydro 5-azaindolizines (DHAIs) led to ring-opened colored betaines which underwent reversible thermal 1,5-electrocyclization into their corresponding DHAIs in the second domain. The noteworthy multiaddressable photochromic properties are useful for a plethora of new applications for these materials such as anchoring the ethylene group to metal-oxide nanoparticles. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.06.039