5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene | 160731-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene
• CAS: 160731-64-6
• 化学式: C₁₂H₂₀N₄O₂
• 分子量: 252.316
• InChiKey: IWSMZWPTMIXAHP-UTLPMFLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.07
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  82.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene 、 palladium dichloride 以 甲醇 、 二氯甲烷 为溶剂， 以67%的产率得到[5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene]palladium(II) dichloride
  参考文献：
  名称：

  Synthesis and Characterization of Bivalent Copper and Palladium Complexes of Tetraaza Macrocycles Bearing Polyamide Groups

  摘要：

  DOI：

  10.1080/00945710009351752
• 作为产物：
  描述：

  乙酰乙酸乙酯 、 乙二胺 以 甲醇 为溶剂， 反应 14.0h， 生成 5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8-diene
  参考文献：
  名称：

  Shakir, Mohammad; Varkey, Saji P.; Khan, Tahir A., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1995, vol. 34, # 1, p. 72 - 75

  摘要：

  DOI：

文献信息

• Synthesis and solid-state spectroscopic investigation of some novel diorganotin(IV) complexes of tetraazamacrocyclic ligands
  作者：Mala Nath、Pramendra K. Saini、George Eng、Xueqing Song

  DOI：10.1016/j.jorganchem.2008.03.027

  日期：2008.6

  The tetradendate macrocyclic ligands, [ H2L-1 = 5,12-dioxa-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-1,8- diene] and [ H2L-2 = 6,14-dioxa-8,16-dimethyl-1,5,9,13-tetraazacyclohexadeca-1,9-diene] have been prepared by the condensation reaction of 1,2-diaminoethane and 1,3-diaminopropane, respectively, with ethyl acetoacetate in methanol at room temperature. The diorganotin( IV) complexes of general formula [ R2Sn( L-1)/ R2Sn( L-2)] ( R = Me, n-Bu and Ph) have been synthesized by template condensation reaction of 1,2-diaminoethane or 1,3-diaminopropane and ethyl acetoacetate with R2SnCl2 ( R = Me or Ph) or n-Bu2SnO in 2: 2: 1 molar ratio at ambient temperature ( 35 +/- 2 degrees C) in methanol. The solid-state characterization of resulting complexes have been carried out by elemental analysis, IR, recently developed DART-mass, solid-state C-13 NMR, Sn-119m Mossbauer spectroscopic studies. These studies suggest that in all of the studied complexes, the macrocyclic ligands act as tetradentate coordinating through four nitrogen atoms giving a skew-trapezoidal bipyramidal environment around tin center. Since, the studied diorganotin( IV) macrocyclic complexes are insoluble in common organic solvents, hence good crystals could not be grown for single crystal X-ray crystallographic studies. Thermal studies of all of the studied complexes have also been carried out in the temperature range 0-1000 degrees C using TG, DTG and DTA techniques. The end product of pyrolysis is SnO2 confirmed by XRD analysis. (C) 2008 Elsevier B.V. All rights reserved.