Cobalt, chloro[5,10,15,20-tetrakis(4-chlorophenyl)-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-5-12)- | 900149-23-7

• 英文名称: Cobalt, chloro[5,10,15,20-tetrakis(4-chlorophenyl)-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-5-12)-
• 英文别名: chloro[meso-tetrakis(p-chlorophenyl)porphyrinato]cobalt(III)；T(p-Cl)PPCoCl；cobalt(III)Cl(tetra(p-chlorophenyl)porphyrinato)
• CAS: 900149-23-7
• 化学式: C₄₄H₂₄Cl₅CoN₄
• 分子量: 844.96
• InChiKey: RSVAMRKQQPBYQF-YKKPBKTHSA-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：

  Cobalt, chloro[5,10,15,20-tetrakis(4-chlorophenyl)-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-5-12)- 、 氰化四丁基铵 以 二氯甲烷-D2 为溶剂， 生成 tetrabutylammonium (dicyano)[meso-tetrakis(p-chlorophenyl)porphyrinato]cobaltate(III)
  参考文献：
  名称：

  对位取代基对双氰基[内消旋-四（对-取代苯基）卟啉-铁]（III）配合物的电子构型的电子效应

  摘要：

  在低自旋铁（III）卟啉配合物中，有两种类型的电子构型，（d xy）2（d xz，d yz）3和（d xz，d yz）4（d xy）1。为了揭示的取代基的电子效应如何影响低自旋铁（III）卟啉配合物的电子结构，我们已经研究了13 C NMR，1 H NMR，和一系列四丁基铵（二氰基）的EPR谱内消旋-四（对位取代苯基）卟啉铁]高铁酸盐（III），[Fe（对-X–TPP）（CN）2 ] -卜4 Ñ +，在这两个CD 2氯2和CD 3 OD溶液。取决于对位取代基的给电子或吸电子能力，内消旋碳信号的化学位移（在很大程度上反映了低旋铁（III）的电子构型）已发生很大变化。所述的各向同性位移内消旋的α-碳的信号的[Fe（p -X-TPP）（CN）2 ] -卜4 Ñ +是本的基础上确定的内消旋碳上的相应反磁性钴（III）络合物，[CO（的化学位移p -X-TPP）（CN）2 ] -卜4 Ñ +。针对哈米特各向同性位移的曲线σ

  DOI：

  10.1016/s0020-1693(02)00819-8
• 作为产物：
  描述：

  盐酸 、 5,10,15,20-tetrakis(p-chlorophenyl)porphyrin cobalt (II) 以 二氯甲烷 、 水 为溶剂， 以78 %的产率得到Cobalt, chloro[5,10,15,20-tetrakis(4-chlorophenyl)-21H,23H-porphinato(2-)-κN21,κN22,κN23,κN24]-, (SP-5-12)-
  参考文献：
  名称：

  新型钴 (III) 内消旋卟啉络合物的合成、光化学、X 射线衍射和光伏电池的电学性质。

  摘要：

  目前的工作描述了一种新的钴 (III) 卟啉配位化合物的制备和表征，命名为 (chlorido)(nicotinylchloride)[meso-tetra(para-chlorophenyl)porphyrinato]cobalt(III) dichloromethane monosolvate with formula [CoIII(TClPP) Cl(NTC)]·CH2Cl2 (4)。4 的单晶 X 射线分子结构显示卟啉大环的非常重要的褶皱和波浪形扭曲。由于非常扭曲的卟啉核，4 的 Soret 和 Q 吸收带非常红移。还通过荧光和循环伏安法研究了这种配位化合物。我们的四种卟啉化合物——H2TClPP (1) 游离基卟啉、[CoII(TClPP)] (2) 和 [CoIII(TClPP)Cl] (3) 起始材料的效率，以及新型 Co(III) 金属卟啉 [CoIII(TClPP)Cl(NTC)]·CH2Cl2

  DOI：

  10.3390/molecules27248866

文献信息

• A Green Process for Oxidation of <i>p</i>-Nitrotoluene Catalyzed by Metalloporphyrins under Mild Conditions
  作者：Lanzhi Wang、Yuanbin She、Rugang Zhong、Hongbing Ji、Yanhui Zhang、Xufeng Song

  DOI：10.1021/op060056z

  日期：2006.7.1

  A novel synthetic technology of p-nitrobenzoic acid has been investigated with dioxygen by using metalloporphyrins RTPP-(MCl)-Cl-III (M = Fe, Co, Mn) as biomimetic catalysts. Oxidation of p-nitrotoluene to p-nitrobenzoic acid under 2.0 MPa of O-2 in the presence of a microamount of metalloporphyrins (RTPP-(MCl)-Cl-III) at 55 degrees C was achieved with the highest ( up to 90.4%) yield. Further research results show that the catalytic activities were relative to the nature of the substituted groups and the central metal ions of metalloporphyrins. For the metalloporphyrins with the same center metal ions, the greater the electron-withdrawing degree of groups in the porphyrin ring, the higher the catalytic activities of the metalloporphyrins. The catalytic activities for metalloporphyrins with different center metal ions followed the order RTPPMn Cl-III > RTPP (FeCl)-Cl-III > RTPP (CoCl)-Cl-III.
• Aerobic oxidation of p-xylene over metalloporphyrin and cobalt acetate: Their synergy and mechanism
  作者：Quan Jiang、Yang Xiao、Ze Tan、Qing-Hong Li、Can-Cheng Guo

  DOI：10.1016/j.molcata.2008.01.040

  日期：2008.4

  The aerobic liquid-phase oxidation of p-xylene (PX) over metalloporphyrin and Co(OAc)(2) was studied, and the co-catalysis between metalloporphyrin and Co(OAc)(2) for the oxidation of PX was discovered for the first time. The results showed that both the PX conversion and terephthalic acid yield could be increased significantly despite the fact that only a minute amount of metalloporphyrin was added to the reaction mixture in addition to the Co(OAc)(2) catalyst. The effects of the structure of metalloporphyrin and reaction conditions such as temperature, air pressure and catalyst concentration on the overall reaction performance were also studied. A possible mechanism for the observed synergy between metalloporphyrin and Co(OAc)(2) as co-catalysts for the aerobic liquid-phase oxidation of PX was proposed based on some experimental observations. The results suggested that the PX oxidation was improved because of the acceleration of the chain initiation of PX oxidation by metalloporphyrin, and the acceleration of the chain initiation itself was due to the ease of peroxide formation over metalloporphyrin. (c) 2008 Elsevier B.V. All rights reserved.