5-methyl-1,5,9,24,25-pentaazapentacyclo[7.7.7.5.5]pentacosane-11,13,15,18(25),20,22-hexene | 212697-59-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-methyl-1,5,9,24,25-pentaazapentacyclo[7.7.7.5.5]pentacosane-11,13,15,18(25),20,22-hexene
• 英文别名: 20-Methyl-1,9,20,24,25-pentazatetracyclo[7.7.7.13,7.111,15]pentacosa-3(25),4,6,11,13,15(24)-hexaene
• CAS: 212697-59-1
• 化学式: C₂₁H₂₉N₅
• 分子量: 351.495
• InChiKey: JNRMJXYGZZGNTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  manganese(II) triflate 、 5-methyl-1,5,9,24,25-pentaazapentacyclo[7.7.7.5.5]pentacosane-11,13,15,18(25),20,22-hexene 在 triethylamine 作用下， 以 乙腈 为溶剂， 以60%的产率得到Mn(5-methyl-1,5,9,24,25-pentaazapentacyclo[7.7.7.5.5]pentacosane-11,13,15,18(25),20,22-hexene)(CF3SO3)2
  参考文献：
  名称：

  拓扑受限的五齿配体衍生的铁（II）和锰（II）配合物的合成和性能。

  摘要：

  合成了新型的双环五齿配体5-甲基-1,5,9,24,25-五氮杂五环[7.7.7.5.5]戊二十烷11,13,15,18（25），20,22-己烯（L1）。由于其跨桥拓扑结构，它表现出相对较硬的预组织构象，特别适合于复合物的形成，如单质子化配体盐HL1ClH2O的晶体结构所示[斜方晶系，P212121，a = 9.4405（5）A，b = 13.3617（ 5）A，c = 16.710（1）A]。L1与铁（II）和锰（II）的配合物已被表征，包括[FeL1CH3CN] [FeCL4]和[MnL1Cl] [PF6]的晶体结构[单斜晶系，P21 / n，a = 10.0460（5） A，b = 19.237（9）A，c = 15.6254（8）A，beta = 95.97（2）度，a = 7.745（2）A，b = 22.786（4）A，c = 14.639（4）A， beta = 105.0

  DOI：

  10.1021/ic981410f

文献信息

• Catalysts and methods for catalytic oxidation
  申请人：Busch Hadley Daryle

  公开号：US20070093379A1

  公开（公告）日：2007-04-26

  Catalytic systems and methods for oxidizing materials in the presence of metal catalysts (preferably manganese-containing catalysts) complexed with selected macropolycyclic rigid ligands, preferably cross-bridged macropolycyclic ligands. Included are using these metal catalysts in such processes as: synthetic organic oxidation reactions such as oxidation of organic functional groups, hydrocarbons, and heteroatoms, including enantiomeric epoxidation of alkenes, enynes, sulfides to sulfones and the like; oxidation of oxidizable compounds (e.g., stains) on surfaces such as fabrics, dishes, countertops, dentures and the like; oxidation of oxidizable compounds in solution, dye transfer inhibition in the laundering of fabrics; and further in the bleaching of pulp and paper products.
• Bleach compositions
  申请人：Busch Daryle Hadley

  公开号：US20080125343A1

  公开（公告）日：2008-05-29

  Laundry or cleaning composition comprising: (a) a catalytically effective amount, preferably from about 1 ppb to about 99.9%, of a transition-metal bleach catalyst which is a complex of a transition-metal and a cross-bridged macropolycyclic ligand; and (b) at least about 0.1% of one or more laundry or cleaning adjunct materials, preferably comprising an oxygen bleaching agent. Preferred compositions are laundry compositions and automatic dishwashing detergents which provide enhanced cleaning/bleaching benefits through the use of such catalysts.
• BLEACH COMPOSITIONS
  申请人：Busch Daryle Hadley

  公开号：US20090054293A1

  公开（公告）日：2009-02-26

  Laundry or cleaning composition comprising: (a) a catalytically effective amount, preferably from about 1 ppb to about 99.9%, of a transition-metal bleach catalyst which is a complex of a transition-metal and a cross-bridged macropolycyclic ligand; and (b) at least about 0.1% of one or more laundry or cleaning adjunct materials, preferably comprising an oxygen bleaching agent. Preferred compositions are laundry compositions and automatic dishwashing detergents which provide enhanced cleaning/bleaching benefits through the use of such catalysts.
• CATALYSTS AND METHODS FOR CATALYTIC OXIDATION
  申请人：Busch Daryle Hadley

  公开号：US20090176645A1

  公开（公告）日：2009-07-09

  Catalytic systems and methods for oxidizing materials in the presence of metal catalysts (preferably manganese-containing catalysts) complexed with selected macropolycyclic rigid ligands, preferably cross-bridged macropolycyclic ligands. Included are using these metal catalysts in such processes as: synthetic organic oxidation reactions such as oxidation of organic functional groups, hydrocarbons, and heteroatoms, including enantiomeric epoxidation of alkenes, enynes, sulfides to sulfones and the like; oxidation of oxidizable compounds (e.g., stains) on surfaces such as fabrics, dishes, countertops, dentures and the like; oxidation of oxidizable compounds in solution, dye transfer inhibition in the laundering of fabrics; and further in the bleaching of pulp and paper products.
• Synthesis and Properties of Iron(II) and Manganese(II) Complexes Derived from a Topologically Constrained Pentadentate Ligand
  作者：Simon Collinson、Nathaniel W. Alcock、Ahasuya Raghunathan、Pawan K. Kahol、Daryle H. Busch

  DOI：10.1021/ic981410f

  日期：2000.2.1

  Because of its cross-bridged topology it exhibits a relatively rigid preorganized conformation especially appropriate to complex formation, as shown by the crystal structure of the monoprotonated ligand salt, HL1ClH2O [orthorhombic, P212121, a = 9.4405(5) A, b = 13.3617(5) A, c = 16.710(1) A]. The complexes of L1 with both iron(II) and manganese(II) have been characterized, including the crystal structures

  合成了新型的双环五齿配体5-甲基-1,5,9,24,25-五氮杂五环[7.7.7.5.5]戊二十烷11,13,15,18（25），20,22-己烯（L1）。由于其跨桥拓扑结构，它表现出相对较硬的预组织构象，特别适合于复合物的形成，如单质子化配体盐HL1ClH2O的晶体结构所示[斜方晶系，P212121，a = 9.4405（5）A，b = 13.3617（ 5）A，c = 16.710（1）A]。L1与铁（II）和锰（II）的配合物已被表征，包括[FeL1CH3CN] [FeCL4]和[MnL1Cl] [PF6]的晶体结构[单斜晶系，P21 / n，a = 10.0460（5） A，b = 19.237（9）A，c = 15.6254（8）A，beta = 95.97（2）度，a = 7.745（2）A，b = 22.786（4）A，c = 14.639（4）A， beta = 105.0