{trans-Co({Pri-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2 | 121784-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: {trans-Co({Pri-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2
• 英文别名: [sec,rac-CH3Co(H2O)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)](ClO4)2；sec,rac-CH3Co(H2O)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)(ClO4)2；{trans-Co({Sec-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2；[pri,rac-CH3Co(H2O)(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)](ClO4)2；{trans-Co(meso-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2
• CAS: 121784-60-9
• 化学式: C₁₇H₃₇CoN₄O*2ClO₄
• 分子量: 571.401
• InChiKey: NXNXDBKWYZJCBD-PRNSBOFBSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  {trans-Co({Pri-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2 、 硫氰酸酯 以 not given 为溶剂， 生成 {trans-Co({Pri-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(SCN)CH3}(1+)
  参考文献：
  名称：

  导致反式水甲基（四氮杂大环）钴（III）配合物不稳定的电子和立体化学因素。动力学和分子力学研究

  摘要：

  通过使用一系列反式-Co(N{sub 4})(OH{sub 2})CH{sub 3} 的阴离子反应研究了Co-烷基键的反式不稳定影响的起源和可变性{sup 2+}（N{sub 4} 是四氮杂大环配体）配合物作为探针。一些相关的反式 Co(N{sub 4})(OH{sub 2})Cl{sup 2+} 配合物的阴离子反应也已被检验，以提供与密切相关的经典配位配合物进行比较的基础。Co(N{sub 4})(OH{sub 2}){sub 2}{sup 2+}, Co(N{sub 4})(OH{sub 2})CH{sub 中置换的简单静电模型3}{sup 2+} 和 Co(N{sub 4})(OH{sub 2})Cl{sup 2+} 复合物表明对于在Co(Me{sub 6}(14)dieneN{sub 4})(OH{sub 2})CH{sub 3}{sup 2+} 的立体化学杂乱位点比整洁的位点。

  DOI：

  10.1021/ja00201a021
• 作为产物：
  描述：

  叔丁基过氧化氢 、 高氯酸 、 sodium perchlorate 、 [Co(II)(Me6[14]dieneN4)(H2O)2](2+) 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 {trans-Co({Pri-CH3}-rac-(1,8)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,11-diene)(H2O)CH3}(ClO4)2
  参考文献：
  名称：

  The base-catalyzed isomerization of trans-RCo(H2O)L2+ (L=5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)

  摘要：

  The sec, rac-CH3Co(H2O)L2+ (L=5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene) was prepared successfully via meso-CH3Co(H2O)L2+ in aqueous solution. The isomerizations from meso-RCo(H2O)L2+ (R=CH3, C2H5 and C3H7) and sec, rac-CH3Co(H2O)L2+ to pri, rac-RCo(H2O)L2+ were both base catalyzed in aqueous solution. The kinetic results showed the reaction to be first order in both organocobalt complex and hydroxide ion with the reactivity order for the alkyl group being C3H7 similar to C2H5 much greater than CH3. However, the conversion from the most steric hindered isomer form of sec, rac- was slow. The ratio of the isomerization rate constants between meso-CH3Co(H2O)L2+ and sec, rac-CH3Co(H2O)L2+ to pri, rac-CH3Co(H2O)L2+ is almost a factor of 100. The thermodynamic activation parameters for these isomerization reactions were investigated. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.06.007

文献信息

• Bimolecular homolytic reactions of alkylcobalt complexes
  作者：Shaoyung Lee、Tsung Yao Ku

  DOI：10.1016/j.poly.2007.01.032

  日期：2007.7

  The reactions of RCoL1(H2O)(2+) (R = CH3, C2H5 and n-C3H7; L-1 = 5,7,7,12,14,14-hexamethyl-1,4,8,1 1-tetraazacyclotetradeca-4,1 I diene) and CH3CoL2 (H2O)(2+) (L-2 = 1,4,8,11 -tetraazacyclotetradecane) with Cr2+ in aqueous solution were studied. The reaction products were CoL1 (H2O)(2+)(2) (or CoL2 (H2O)(2+)(2)) and RCr2+ following which the related alkanes were obtained via acidolysis. The reaction mechanism appears to consist of an SH2 displacement at the saturated carbon. The reactivity is clearly dependent on the size of the alkyl group, the ligand and the configuration of the complex. The kinetics for this reaction were also studied at various temperatures. The reaction of RCoL1(H2O)(2+) with V2+ was investigated as well in this study. (C) 2007 Elsevier Ltd. All rights reserved.