5-amino-N-[1-(4-tert-butylphenoxy)-9,10-anthraquinon-2-yl]-N'-(2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecen-15-yl)isophthalamide | 954374-16-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 5-amino-N-[1-(4-tert-butylphenoxy)-9,10-anthraquinon-2-yl]-N'-(2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecen-15-yl)isophthalamide
• CAS: 954374-16-4
• 化学式: C₄₆H₄₅N₃O₁₀
• 分子量: 799.877
• InChiKey: XURRFJWUUJPAEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.46
• 重原子数：
  59.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  173.74
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  5-amino-N-[1-(4-tert-butylphenoxy)-9,10-anthraquinon-2-yl]-N'-(2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecen-15-yl)isophthalamide 、 5-硝基异酞酰氯 以 甲苯 为溶剂， 以72%的产率得到N,N'-bis{N-[1-(4-tert-butylphenoxy)-9,10-anthraquinon-2-yl]-N'-(2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecen-15-yl)-5-isophthalamido}-5-nitroisophthalamide
  参考文献：
  名称：

  Synthesis of photoactive polyfunctional molecules based on 1-aryloxyanthraquinone aminoderivatives

  摘要：

  By alternating stages of condensation 1-(4-tert-butylphenoxy)-2-amino-9, 10-anthraquinone with 5-nitroisophthaloyl dichloride, cyanuric chloride, and 4-aminobenzocrown ethers with stages of catalytic reduction of nitro group photoactive polyfunctional compounds were prepared containing both several photoactive groups and complex-forming crown ether moieties.

  DOI：

  10.1134/s1070428006110145
• 作为产物：
  描述：

  5-硝基异酞酰氯 在 palladium on activated charcoal 一水合肼 作用下， 以 乙醇 、 苯 为溶剂， 反应 6.0h， 生成 5-amino-N-[1-(4-tert-butylphenoxy)-9,10-anthraquinon-2-yl]-N'-(2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecen-15-yl)isophthalamide
  参考文献：
  名称：

  Synthesis of photoactive polyfunctional molecules based on 1-aryloxyanthraquinone aminoderivatives

  摘要：

  By alternating stages of condensation 1-(4-tert-butylphenoxy)-2-amino-9, 10-anthraquinone with 5-nitroisophthaloyl dichloride, cyanuric chloride, and 4-aminobenzocrown ethers with stages of catalytic reduction of nitro group photoactive polyfunctional compounds were prepared containing both several photoactive groups and complex-forming crown ether moieties.

  DOI：

  10.1134/s1070428006110145