| 185025-09-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 185025-09-6
• 化学式: C₃₉H₄₇N₈O₆*Na
• 分子量: 746.842
• InChiKey: GXHMTFHFYALURS-WMYUDKTPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  54.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  171.85
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  europium(III) thiocyanate 、 以 乙醇 、 乙腈 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopy of unsymmetric mononuclear lanthanide cryptates. Structure of two europium(III) cryptates co-existing in the same crystal [EuL(OH₂)]·[Eu(HL)(NCS)]·9H₂O·2MeCN·EtCN·EtOH (H₃L = a phenol-bridged N₈O₃Schiff-base cryptand)

  摘要：

  Lanthanide cryptates of a phenol-bridged N8O3 Schiff-base cryptand (H(3)L) have been synthesized by transmetallation with the sodium cryptate [Na(H(2)L)], where the cryptand was obtained by a basic template condensation of tris(2-aminoethyl)amine and 2,6-diformyl-4-methoxyphenol. The structure of [EuL(OH2)].[Eu(HL)(NCS)]. 9H(2)O . 2MeCN . EtCN . EtOH showed the coexistence in the same crystal of two kinds of unsymmetric eight-co-ordinate europium(III) cryptates with different second ligands. The Eu-NCS;linkage in [Eu(HL)(NCS)] is linear [Eu-N=C-S 175(2), N=C-S 179(2)degrees and Eu-N 2.42(1) Angstrom].

  DOI：

  10.1039/dt9960003883
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 2,6-二甲酰-4-甲氧基苯酚 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以71%的产率得到
  参考文献：
  名称：

  Synthesis and spectroscopy of unsymmetric mononuclear lanthanide cryptates. Structure of two europium(III) cryptates co-existing in the same crystal [EuL(OH₂)]·[Eu(HL)(NCS)]·9H₂O·2MeCN·EtCN·EtOH (H₃L = a phenol-bridged N₈O₃Schiff-base cryptand)

  摘要：

  Lanthanide cryptates of a phenol-bridged N8O3 Schiff-base cryptand (H(3)L) have been synthesized by transmetallation with the sodium cryptate [Na(H(2)L)], where the cryptand was obtained by a basic template condensation of tris(2-aminoethyl)amine and 2,6-diformyl-4-methoxyphenol. The structure of [EuL(OH2)].[Eu(HL)(NCS)]. 9H(2)O . 2MeCN . EtCN . EtOH showed the coexistence in the same crystal of two kinds of unsymmetric eight-co-ordinate europium(III) cryptates with different second ligands. The Eu-NCS;linkage in [Eu(HL)(NCS)] is linear [Eu-N=C-S 175(2), N=C-S 179(2)degrees and Eu-N 2.42(1) Angstrom].

  DOI：

  10.1039/dt9960003883

文献信息

• Synthesis and crystal structure of the cryptate complex [Gd(L) (DMF)] · KSCN · CH3CN · 3H20 (L is a deprotonated phenol-based N803 cryptand)
  作者：Shu-Yan Yu、Quan-Ming Wang、Biao Wu、Xin-Tao Wu、Huai-Ming Hu、Liu-Fang Wang、An-Xin Wu

  DOI：10.1016/0277-5387(96)00237-9

  日期：1997.1

  The cryptate complex [Gd(L)(DMF)]. KSCN . CH3CN . 3H(2)O has been synthesized by the reaction of gadolinium isothiocyanate and potassium thiocyanate with cryptate [Na(H(2)L)], which was prepared by a (2+3) Schiff-base condensation of tris(2-aminoethyl)amine and 2,6-diformyl-4-methoxyphenol in the presence of NaOH. The Gd atom is encapsulated in the cryptand with an unsymmetric eight-coordinate environment

  加密复合物[Gd（L）（DMF）]。KSCN。CH3CN 通过异硫氰酸g和硫氰酸钾与隐酸盐[Na（H（2）L）]的反应合成了3H（2）O，该隐酸盐是通过三（2-氨基乙基）的（2 + 3）席夫碱缩合制备的胺和2,6-二甲酰基-4-甲氧基苯酚在NaOH的存在下。Gd原子以不对称的八坐标环境封装在穴状分子中。版权所有（C）1996 Elsevier Science Ltd