meso-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane | 47097-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: meso-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane
• 英文别名: (7S,12R)-5,5,7,12,14,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
• CAS: 47097-81-4
• 化学式: C₁₆H₃₆N₄
• 分子量: 284.489
• InChiKey: OXCGREHPAHBDLU-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  48.1
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc perchlorate 、 meso-5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane 以 甲醇 为溶剂， 以72%的产率得到
  参考文献：
  名称：

  Influence of substituents in the ligand on the properties of macrocyclic complexes of zinc

  摘要：

  DOI：

  10.1007/bf01004511

文献信息

• Persistent CH···π Interactions in Mefenamic Acid Complexes with Cyclic and Acyclic Amines
  作者：Marina S. Fonari、Eduard V. Ganin、Anna V. Vologzhanina、Mikhail Yu. Antipin、Victor Ch. Kravtsov

  DOI：10.1021/cg100518b

  日期：2010.8.4

  Interaction of mefenamic acid [2-(2,3-dimethylphenyl)aminobenzoic acid, maH] with piperazine (ppz), 1,4,7, 10-tetraazacyclododecane (cyclen), meso-5,7,7,12,12, 14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (teta), and tris(hydroxymethyl)aminomethane (iris) resulted in crystalline proton-transfer complexes of the compositions (ppzH(2))(ma)(2)center dot 4H(2)O 1, (cyclenH(2))(ma)(2)center dot 2H(2)O 2, (tetaH(2))(ma)(2)center dot 2H(2)O 3, and (trisH)(ma)center dot H2O 4. Immediate cation-anion hydrogen bonds and those mediated by water molecules are the prime driving forces for the maH and amine assembly. Persistent CH center dot center dot center dot pi interactions involving the aromatic rings were found to play an important role in the formation of final structures. All complexes reveal the pronounced segregation of hydrophilic and hydrophobic regions.