Tritert-butyl 10-[2-(5,23-dimethoxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate | 1366018-39-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: Tritert-butyl 10-[2-(5,23-dimethoxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
• CAS: 1366018-39-4
• 化学式: C₅₁H₆₇N₅O₁₀
• 分子量: 910.12
• InChiKey: KUTOAQFPXXKJOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  66
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  Tritert-butyl 10-[2-(5,23-dimethoxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 5,23-Dimethoxy-14-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione
  参考文献：
  名称：

  Turn-On Fluorescent Sensor for Selective Detection of Zn²⁺, Cd²⁺, and Hg²⁺ in Water

  摘要：

  A new fluorescent chemosensor based on a helical imide as fluorophore and a cyclen moiety as ionophore was synthesized, which not only showed enhanced fluorescent responses in the presence of Zn2+, Cd2+, and Hg2+ but also could simultaneously and selectively distinguish the three cations in a simulated physiological condition with the help of cysteine as an auxiliary reagent.

  DOI：

  10.1021/jo3002744
• 作为产物：
  描述：

  5,23-Dimethoxy-14-oxahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione 、 10-(2-aminoethyl)-1,4,7,10-tetraazacyclododecan-1,4,7-tricarboxylic acid tri(tert-butyl) ester 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以75%的产率得到Tritert-butyl 10-[2-(5,23-dimethoxy-13,15-dioxo-14-azahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaen-14-yl)ethyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
  参考文献：
  名称：

  Turn-On Fluorescent Sensor for Selective Detection of Zn²⁺, Cd²⁺, and Hg²⁺ in Water

  摘要：

  A new fluorescent chemosensor based on a helical imide as fluorophore and a cyclen moiety as ionophore was synthesized, which not only showed enhanced fluorescent responses in the presence of Zn2+, Cd2+, and Hg2+ but also could simultaneously and selectively distinguish the three cations in a simulated physiological condition with the help of cysteine as an auxiliary reagent.

  DOI：

  10.1021/jo3002744

文献信息

• Turn-On Fluorescent Sensor for Selective Detection of Zn²⁺, Cd²⁺, and Hg²⁺ in Water
  作者：Meng Li、Hai-Yan Lu、Rui-Li Liu、Jun-Dao Chen、Chuan-Feng Chen

  DOI：10.1021/jo3002744

  日期：2012.4.6

  A new fluorescent chemosensor based on a helical imide as fluorophore and a cyclen moiety as ionophore was synthesized, which not only showed enhanced fluorescent responses in the presence of Zn2+, Cd2+, and Hg2+ but also could simultaneously and selectively distinguish the three cations in a simulated physiological condition with the help of cysteine as an auxiliary reagent.