(methylazanediyl)bis(ethane-2,1-diyl) bis(3-amino-1-naphthoate) | 1026988-18-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (methylazanediyl)bis(ethane-2,1-diyl) bis(3-amino-1-naphthoate)
• CAS: 1026988-18-0
• 化学式: C₂₇H₂₇N₃O₄
• 分子量: 457.529
• InChiKey: ZEVKRJRVGBGDMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  107.88
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  (methylazanediyl)bis(ethane-2,1-diyl) bis(3-amino-1-naphthoate) 、 5-tert-butylisophthaloyl dichloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以18%的产率得到6-Tert-butyl-3,9-dihydroxy-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),2,4(39),5,7,9,11,13,15,17,19(38),29(37),30,32,34-pentadecaene-20,28-dione
  参考文献：
  名称：

  Fluorescent Chemosensor for Chloroalkanes

  摘要：

  Two structurally related macrocyclic amines with naphthalene groups are shown to act as fluorescent dosimeters for reactive chloroalkanes, including the common industrial solvent dichloromethane. The macrocyclic structures contain two NH residues which greatly accelerate N-alkylation by activating the chloride leaving group. The chemical reaction increases fluorescence intensity by promoting excimer emission and attenuating the quenching induced by photoinduced electron transfer (PET).

  DOI：

  10.1021/ol8003723
• 作为产物：
  描述：

  (methylazanediyl)bis(ethane-2,1-diyl) bis(3-nitro-1-naphthoate) 在 10% Pd/C 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以99%的产率得到(methylazanediyl)bis(ethane-2,1-diyl) bis(3-amino-1-naphthoate)
  参考文献：
  名称：

  Fluorescent Chemosensor for Chloroalkanes

  摘要：

  Two structurally related macrocyclic amines with naphthalene groups are shown to act as fluorescent dosimeters for reactive chloroalkanes, including the common industrial solvent dichloromethane. The macrocyclic structures contain two NH residues which greatly accelerate N-alkylation by activating the chloride leaving group. The chemical reaction increases fluorescence intensity by promoting excimer emission and attenuating the quenching induced by photoinduced electron transfer (PET).

  DOI：

  10.1021/ol8003723