6,6,13,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6,6,13,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 6,6,13,13-Tetramethyl-1,4,8,11-tetrazacyclotetradecane
• 化学式: C₁₄H₃₂N₄
• 分子量: 256.435
• InChiKey: NRBXAGQTMOSBPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 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：

  iron(II) chloride tetrahydrate 、 氧化亚氮 、 tert-butylammonium hexafluorophosphate(V) 、 6,6,13,13-tetramethyl-1,4,8,11-tetraazacyclotetradecane 以 甲醇 为溶剂， 以74%的产率得到trans-nitrosyl chloro(3,3,10,10-tetramethyl-1,5,8,12-tetraazacyclotetradecane)iron(II) chloride
  参考文献：
  名称：

  Iron complexes acting as nitric oxide carriers

  摘要：

  A new strategy for NO-carrier synthesis depending on the strength of the ligand field, the configuration of the complex and the oxidation state of the metal is developed. The preparation of the trans- and cis-[Fe(I)(NO)(Cl)]Cl and trans -[Fe(2)(NO)(Cl)]Cl complexes. where 1 is 1,4,8,11-tetraaza-cyclotetradecane or cyclam and 2 is 6,6,13,13-tetramethyl-1,4,8,11-tetraaza-cyclotetradecane, is reported. On the basis of spectroscopic data and PM3(tm) molecular modeling calculations, both species are characterized as complexes of the [Fe-NO](7) type possessing an S = 1/2 and S = 3/2 ground state for the trans- and cis-[Fe(1)(NO)(Cl)]Cl, respectively. The cis isomer can act as a NO carrier. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00050-1