6-Tert-butyl-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),4(39),5,7,11,13,15,17,19(38),29(37),30,32,34-tridecaene-3,9-dione | 1026988-13-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 6-Tert-butyl-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),4(39),5,7,11,13,15,17,19(38),29(37),30,32,34-tridecaene-3,9-dione
• 英文别名: 6-tert-butyl-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),4(39),5,7,11,13,15,17,19(38),29(37),30,32,34-tridecaene-3,9-dione
• CAS: 1026988-13-5
• 化学式: C₃₉H₄₁N₃O₄
• 分子量: 615.772
• InChiKey: FTTBYAAMPRRHIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  46
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-Tert-butyl-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),4(39),5,7,11,13,15,17,19(38),29(37),30,32,34-tridecaene-3,9-dione 在 盐酸 作用下， 以 tert-butylmethyl ether 为溶剂， 生成
  参考文献：
  名称：

  Fluorescent chemosensor for reactive organohalides in micellar solution with an example of autocatalysis

  摘要：

  在胶束水溶液中对荧光大环胺进行 N-烷基化反应可增强发射；与氯甲基甲醚的反应表现出自催化作用。

  DOI：

  10.1039/b900963a
• 作为产物：
  描述：

  4-((2-((2-((3-aminonaphthalen-1-yl)methoxy)ethyl)(methyl)amino)ethoxy)methyl)naphthalen-2-amine 、 5-tert-butylisophthaloyl dichloride 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以21.5%的产率得到6-Tert-butyl-24-methyl-21,27-dioxa-2,10,24-triazahexacyclo[27.7.1.14,8.111,19.013,18.030,35]nonatriaconta-1(36),4(39),5,7,11,13,15,17,19(38),29(37),30,32,34-tridecaene-3,9-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

文献信息

• Fluorescent Chemosensor for Chloroalkanes
  作者：Jung-Jae Lee、Bruce C. Noll、Bradley D. Smith

  DOI：10.1021/ol8003723

  日期：2008.5.1

  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).
• Fluorescent chemosensor for reactive organohalides in micellar solution with an example of autocatalysis
  作者：Jung-Jae Lee、Bradley D. Smith

  DOI：10.1039/b900963a

  日期：——

  N-Alkylation of a fluorescent macrocyclic amine in aqueous micellar solution produces enhanced emission; the reaction with chloromethyl methyl ether exhibits autocatalysis.

  在胶束水溶液中对荧光大环胺进行 N-烷基化反应可增强发射；与氯甲基甲醚的反应表现出自催化作用。