monooxo-1,4,8,11-tetraazacyclotetradecane | 85828-26-8

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: monooxo-1,4,8,11-tetraazacyclotetradecane
• 英文别名: 1,4,7,10-tetraazacyclotridecan-11-one；1,4,8,11-Tetrazacyclotetradecan-5-one
• CAS: 85828-26-8
• 化学式: C₁₀H₂₂N₄O
• 分子量: 214.311
• InChiKey: HHCPAKJHIFSCSD-UHFFFAOYSA-N

物化性质

• 沸点：
  439.7±45.0 °C(Predicted)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  65.2
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [As(C6H5)4][(99g)Tc(N)Cl4] 、 monooxo-1,4,8,11-tetraazacyclotetradecane 在 triphenylphosphine 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Technetium(V) nitrido complexes with tetra-azamacrocycles: monocationic and neutral octahedral complexes containing the [TcN]²⁺core. Crystal structure of [TcN(L¹)H₂O]·2H₂O (H₂L¹= 1,4,8,11-tetra-azacyclotetradecane-5,7-dione)

  摘要：

  DOI：

  10.1039/dt9900001935

文献信息

• Kimura, Eiichi; Kurogi, Yasuhisa; Takahashi, Toshikazu, Inorganic Chemistry, 1991, vol. 30, # 22, p. 4117 - 4121
  作者：Kimura, Eiichi、Kurogi, Yasuhisa、Takahashi, Toshikazu

  DOI：——

  日期：——
• Tsang, Brenda Winckler; Reibenspies, Joseph; Martell, Arthur E., Inorganic Chemistry, 1993, vol. 32, # 6, p. 988 - 994
  作者：Tsang, Brenda Winckler、Reibenspies, Joseph、Martell, Arthur E.

  DOI：——

  日期：——
• Tc(IV)Cl4(PPh3)2 and Tc(III)Cl3(CH3CN)(PPh3)2 as precursors of trans dioxo technetium(V) complexes with chelating amines and tetraazamacrocycles
  作者：Françoise Riché、Michel Vidal、Cristina Bolzati、Licia Uccelli、Andrea Marchi、Adriano Duatti

  DOI：10.1016/0020-1693(94)04346-w

  日期：1995.3

  The trans dioxo complexes [TcO2(L)](+) (L = 1,4,8,11-tetraazacyclotetradecane (cyclam), 1,4,8,11-tetraazacyclotetradecane-5-one, 1 4,8,11-tetraazacyclotetradecane-5,7-dione) have been prepared through a new alternative route involving the reaction of excess of the appropriate ligand with the complexes [TcCl4(PPh(3))(2)] and [TcCl3(CH3CN)(PPh(3))(2)] in CH3CN solution, at room temperature. The yields of formation of the final products obtained through this new synthetic method (30-55%) are significantly higher than that found in the synthesis of the complex [TcO2(cyclam)](+) (7%) obtained through a previously reported procedure involving pertechnetate reduction by Na2S2O3 in alkaline solution and in the presence of the ligand or by substitution reaction onto the mono-oxo complex [TcOCl4](-). The new synthetic method was also efficiently applied to the synthesis of the trans dioxo complexes [TcO2(L')(2)](+) (L' = ethylenediamine, 1,3-propanediamine) and [TcO2(tad)](+) (tad = 1,5,8,12-tetraazadodecane), containing bidentate and tetradentate chelating amines, giving final yields similar to those obtained using [TcOCl4](-) as starting substrate. These results indicate that the complexes [TcCl4(PPh(3))(2)] and [TcCl3(CH3CN)(PPh(3))(2)] are superior precursors for the synthesis, at macroscopic level, of trans dioxo Tc(V) complexes with tetraazamacrocyclic ligands as compared to [TcO4](-) and [TcOCl4](-). All the complexes have been characterized by elemental analysis, FTIR and mass spectra, and magnetic susceptibility measurements in solution.
• Structural evidence for carbonyl-oxygen protonation in the copper(II) complex of 1,4,8,11-tetraaz-5-oxocyclotetradecane
  作者：Liselotte Siegfried、Markus Neuburger、Margareta Zehnder、Thomas A. Kaden

  DOI：10.1039/c39940000951

  日期：——

  Comparison between the structures of the two copper(II) complexes of 1,4,8,11-tetraaza-5-oxocyclotetradecane with a deprotonated and protonated amide group shows that the carbonyl oxygen is the protonation site and enables discussion of the detailed mechanism of acid dissociation.
• Kimura, Eiichi; Koike, Tohru; Shiota, Takeshi, Inorganic Chemistry, <hi>1990</hi>, vol. 29, # 23, p. 4621 - 4629
  作者：Kimura, Eiichi、Koike, Tohru、Shiota, Takeshi、Iitaka, Yoichi

  DOI：——

  日期：——