mono-N-(4-picolyl)cyclen | 1255888-71-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: mono-N-(4-picolyl)cyclen
• 英文别名: N-(4-picolyl)cyclen；1-(Pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododecane；1-(pyridin-4-ylmethyl)-1,4,7,10-tetrazacyclododecane
• CAS: 1255888-71-1
• 化学式: C₁₄H₂₅N₅
• 分子量: 263.386
• InChiKey: MSSUFTLVQVXOAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.2
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate trihydrate 、 mono-N-(4-picolyl)cyclen 以 水 为溶剂， 以80%的产率得到[Cu(mono-N-(4-picolyl)cyclen)](NO3)2*2H2O
  参考文献：
  名称：

  Isomerism as a remarkable tool for the design of new potentially bridging macrocycle ligands: Synthesis and characterization of the [Cu(4-L1)](NO3)2·2H2O polymeric chain (4-L1=mono-N (4-picolyl)cyclen)

  摘要：

  A new coordination complex [Cu(4-L1)](NO3)(2)center dot 2H(2)O (1) based on the functionalized cyclen mono-N (4-picolyl)cyclen (4-L1) has been prepared and characterized by X-ray diffraction. The structure of 1 can be described as a monodimensional coordination polymer in which the macrocycle ligand acts as bridging ligand. Examination of the inter-chain distances revealed the presence of hydrogen bonds between oxygen atoms of the nitrate anions and the hydrogen atoms of two secondary amines of the macrocycle ligands, affording isolated "double-chain" units. The overall structure of 1 consists of alternating succession of cationic layers of infinite "double-chain" units and anionic nitrate-water H-bonded layers. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.07.024
• 作为产物：
  描述：

  8a-(pyridin-4-ylmethyl)decahydro-2H-2a,4a,6a,8a-tetraazacyclopenta[fg]acenaphthylen-8a-ium chloride 在 一水合肼 作用下， 反应 4.0h， 以90%的产率得到mono-N-(4-picolyl)cyclen
  参考文献：
  名称：

  Isomerism as a remarkable tool for the design of new potentially bridging macrocycle ligands: Synthesis and characterization of the [Cu(4-L1)](NO3)2·2H2O polymeric chain (4-L1=mono-N (4-picolyl)cyclen)

  摘要：

  A new coordination complex [Cu(4-L1)](NO3)(2)center dot 2H(2)O (1) based on the functionalized cyclen mono-N (4-picolyl)cyclen (4-L1) has been prepared and characterized by X-ray diffraction. The structure of 1 can be described as a monodimensional coordination polymer in which the macrocycle ligand acts as bridging ligand. Examination of the inter-chain distances revealed the presence of hydrogen bonds between oxygen atoms of the nitrate anions and the hydrogen atoms of two secondary amines of the macrocycle ligands, affording isolated "double-chain" units. The overall structure of 1 consists of alternating succession of cationic layers of infinite "double-chain" units and anionic nitrate-water H-bonded layers. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.07.024

文献信息

• Isomerism as a remarkable tool for the design of new potentially bridging macrocycle ligands: Synthesis and characterization of the [Cu(4-L1)](NO3)2·2H2O polymeric chain (4-L1=mono-N (4-picolyl)cyclen)
  作者：Fatima El Hajj、Véronique Patinec、Smail Triki、Henri Handel、Mathieu Marchivie

  DOI：10.1016/j.inoche.2010.07.024

  日期：2010.11

  A new coordination complex [Cu(4-L1)](NO3)(2)center dot 2H(2)O (1) based on the functionalized cyclen mono-N (4-picolyl)cyclen (4-L1) has been prepared and characterized by X-ray diffraction. The structure of 1 can be described as a monodimensional coordination polymer in which the macrocycle ligand acts as bridging ligand. Examination of the inter-chain distances revealed the presence of hydrogen bonds between oxygen atoms of the nitrate anions and the hydrogen atoms of two secondary amines of the macrocycle ligands, affording isolated "double-chain" units. The overall structure of 1 consists of alternating succession of cationic layers of infinite "double-chain" units and anionic nitrate-water H-bonded layers. (C) 2010 Elsevier B.V. All rights reserved.