4-(4-{4-[4-(4-tert-butylcarboxypiperazin-1-yl)butoxy]phenoxy}butyl)piperazine-1-carboxylic acid tert-butyl ester | 749870-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-{4-[4-(4-tert-butylcarboxypiperazin-1-yl)butoxy]phenoxy}butyl)piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]butoxy]phenoxy]butyl]piperazine-1-carboxylate
• CAS: 749870-69-7
• 化学式: C₃₂H₅₄N₄O₆
• 分子量: 590.804
• InChiKey: VWSXBSUAOASKDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  42
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  84
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(4-{4-[4-(4-tert-butylcarboxypiperazin-1-yl)butoxy]phenoxy}butyl)piperazine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 1-{4-[4-(4-piperazin-1-yl-butoxy)phenoxy]butyl}piperazine
  参考文献：
  名称：

  Complexation of Metals with Piperazine-Containing Azamacrocyclic Fluorophores

  摘要：

  Azamacrocyclic fluorophores containing piperazine units were synthesized using sequential rhodium-catalyzed regioselective hydroformylation-reductive amination. A piperazine unit is introduced into the macrocycles to act simultaneously as electron donor and binding site. The macrocycles chelate divalent cations, either Zn2+ or Co2+, which considerably enhanced fluorescence. Complexation with Zn2+ was additionally confirmed by NMR.

  DOI：

  10.1021/jo049465o
• 作为产物：
  描述：

  N-Boc-哌嗪 、 4-[4-(4-oxobutoxy)phenoxy]butyraldehyde 在 titanium(IV) isopropylate 、 sodium cyanoborohydride 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以81%的产率得到4-(4-{4-[4-(4-tert-butylcarboxypiperazin-1-yl)butoxy]phenoxy}butyl)piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Complexation of Metals with Piperazine-Containing Azamacrocyclic Fluorophores

  摘要：

  Azamacrocyclic fluorophores containing piperazine units were synthesized using sequential rhodium-catalyzed regioselective hydroformylation-reductive amination. A piperazine unit is introduced into the macrocycles to act simultaneously as electron donor and binding site. The macrocycles chelate divalent cations, either Zn2+ or Co2+, which considerably enhanced fluorescence. Complexation with Zn2+ was additionally confirmed by NMR.

  DOI：

  10.1021/jo049465o

文献信息

• Complexation of Metals with Piperazine-Containing Azamacrocyclic Fluorophores
  作者：Goran Angelovski、Burkhard Costisella、Branko Kolarić、Martin Engelhard、Peter Eilbracht

  DOI：10.1021/jo049465o

  日期：2004.8.1

  Azamacrocyclic fluorophores containing piperazine units were synthesized using sequential rhodium-catalyzed regioselective hydroformylation-reductive amination. A piperazine unit is introduced into the macrocycles to act simultaneously as electron donor and binding site. The macrocycles chelate divalent cations, either Zn2+ or Co2+, which considerably enhanced fluorescence. Complexation with Zn2+ was additionally confirmed by NMR.