1-{4-[4-(4-piperazin-1-yl-butoxy)phenoxy]butyl}piperazine | 749870-71-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-{4-[4-(4-piperazin-1-yl-butoxy)phenoxy]butyl}piperazine
• 英文别名: 1-[4-[4-(4-Piperazin-1-ylbutoxy)phenoxy]butyl]piperazine
• CAS: 749870-71-1
• 化学式: C₂₂H₃₈N₄O₂
• 分子量: 390.569
• InChiKey: AHFYFVXDAVYLHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  49
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[4-(4-oxobutoxy)phenoxy]butyraldehyde 、 1-{4-[4-(4-piperazin-1-yl-butoxy)phenoxy]butyl}piperazine 在 acetylacetonatodicarbonylrhodium(l) 氢气 作用下， 以 甲苯 为溶剂， 50.0 ℃ 、4.0 MPa 条件下， 反应 18.0h， 以36%的产率得到6,11,24,29-Tetraoxa-1,16,19,34-tetrazapentacyclo[32.2.2.27,10.216,19.225,28]tetratetraconta-7,9,25(40),26,28(39),43-hexaene
  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：

  4-[4-(4-oxobutoxy)phenoxy]butyraldehyde 在 titanium(IV) isopropylate 、 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 22.5h， 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

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.