15,15-dimethyl-3,10-dinitro-5,8,13,17-tetrahydro-5,8,13,17-tetraazadibenzo[a,g]cyclotridecene-6,7,14,16-tetraone | 1201641-98-6

• 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: 15,15-dimethyl-3,10-dinitro-5,8,13,17-tetrahydro-5,8,13,17-tetraazadibenzo[a,g]cyclotridecene-6,7,14,16-tetraone
• 英文别名: 14,14-dimethyl-8,20-dinitro-2,5,12,16-tetrazatricyclo[15.4.0.06,11]henicosa-1(17),6(11),7,9,18,20-hexaene-3,4,13,15-tetrone
• CAS: 1201641-98-6
• 化学式: C₁₉H₁₆N₆O₈
• 分子量: 456.371
• InChiKey: GZAMSMWWRSQISH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  33
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  208
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  草酰氯 、 N,N'-bis-(2-amino-4-nitrophenyl)-2,2-dimethylmalonamide 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 以55%的产率得到15,15-dimethyl-3,10-dinitro-5,8,13,17-tetrahydro-5,8,13,17-tetraazadibenzo[a,g]cyclotridecene-6,7,14,16-tetraone
  参考文献：
  名称：

  Design of More Powerful Iron-TAML Peroxidase Enzyme Mimics

  摘要：

  Environmentally useful, small molecule mimics of the peroxidase enzymes must exhibit very high reactivity in water near neutral pH. Here we describe the design and structural and kinetic characterization of a second generation of iron(III)-TAML activators with unprecedented peroxidase-mimicking abilities. Iterative design has been used to remove the fluorine that led to the best performers in first-generation iron-TAMLs. The result is a superior catalyst that meets a green chemistry objective by being comprised exclusively of biochemically common elements. The rate constants for bleaching at pH 7, 9, and 11 of the model substrate, Orange 11, shows that the new Fe-III-TAML has the fastest reactivity at pH's closer to neutral of any TAML activator to date. Under appropriate conditions, the new catalyst can decolorize Orange 11 without loss of activity for at least 10 half-lives, attesting to its exceptional properties as an oxidizing enzyme mimic.

  DOI：

  10.1021/ja9086837

文献信息

• METHOD AND COMPOSITION FOR TREATING FLUIDS BEFORE INJECTION INTO SUBTERRANEAN ZONES
  申请人：Reyes Enrique A.

  公开号：US20110259592A1

  公开（公告）日：2011-10-27

  The invention relates to methods and compositions for producing or recovering an aqueous-based fluid to be utilized or injected in a wellbore or surrounding subterranean formation. The method comprises the step of contacting an aqueous-based fluid with an aqueous-soluble breaker composition comprising an oxidizing agent and a catalyst for a time sufficient to reduce or eliminate one or more deleterious substances in the aqueous-based fluid to produce a treated aqueous-based fluid suitable for use or injection in a wellbore or surrounding subterranean formation.
• US8584757B2
  申请人：——

  公开号：US8584757B2

  公开（公告）日：2013-11-19