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 | 1026988-14-6

• 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-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
• 英文别名: 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
• CAS: 1026988-14-6
• 化学式: C₃₉H₃₇N₃O₆
• 分子量: 643.739
• InChiKey: FTFZGGWUGXEABZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  48
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  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 、 氯甲基甲基醚 以 氘代氯仿 、 氘代丙酮 为溶剂， 反应 0.08h， 以100%的产率得到45-(tert-butyl)-12-(methoxymethyl)-12-methyl-3,5,8,16-tetraoxo-9,15-dioxa-2,6,12-triaza-1,7(3,1)-dinaphthalena-4(1,3)-benzenacyclohexadecaphan-12-ium chloride
  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-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

文献信息

• COMPOUNDS AND COMPOSITIONS FOR USE AS ALKYLATING AGENT SENSORS AND METHODS OF USE THEREOF
  申请人：The University of British Columbia

  公开号：US20160131641A1

  公开（公告）日：2016-05-12

  This invention provides compound having a structure of Formula I: Uses of such compounds and compositions comprising the compounds as alkylating agent sensors.

  该发明提供了具有I式结构的化合物：这些化合物的用途和包含这些化合物的组合物作为烷基化剂传感器。
• US9638690B2
  申请人：——

  公开号：US9638690B2

  公开（公告）日：2017-05-02