Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphinato) | 146343-93-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphinato)
• 英文别名: Co(OETPP)；Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin)；cobalt β-octatethyl-meso-tetraphenylporphyrine；Co(5,10,15,20-tetraphenyloctaethylporphyrin)
• CAS: 146343-93-3
• 化学式: C₆₀H₆₀CoN₄
• 分子量: 896.156
• InChiKey: CESXMGVKXKWAMD-KCVIGMLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.95
• 重原子数：
  65.0
• 可旋转键数：
  12.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  53.98
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphinato) 在 溶剂黄146 、 三氟乙酸 作用下， 以 溶剂黄146 、 三氟乙酸 为溶剂， 生成 钴
  参考文献：
  名称：

  Dissociation kinetics of cobalt and zinc β-octabromo-meso-tetraphenyl- and β-octaethyl-meso-tetraphenylporphyrin complexes

  摘要：

  Kinetics of solvoprotolytic dissociation of zinc and cobalt porphyrin complexes with a porphyrin macrocycle distorted to different extents (beta-octaethyl-meso-tetraphenylporphyrin and beta-octabromo-meso-tetraphenylporphyrin) have been studied in binary proton-donating solvents. The main factor decreasing the stability of the porphyrin complexes is the distortion of the planar structure of the macrocycle. The reactivity of the cobalt porphyrins is governed by both structural and electronic effects.

  DOI：

  10.1134/s0023158407020024
• 作为产物：
  描述：

  2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphyrin 在 cobalt(II) acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphinato)
  参考文献：
  名称：

  摘要：

  The dissociation kinetics of the cobalt and copper complexes with octaethylporphyrin, its 5-phenyl, 5,15-diphenyl, and 5,10,15,20-tetraphenyl derivatives, and dodecaphenylporphyrin in acetic acid with small additions of trifluoroacetic acid were studied. In this series of complexes, the steric distortion of the tetrapyrrole macrocycle sequentially increases, which results in a regular decrease in the kinetic stability of the metal porphyrins: The dissociation rate increases by three orders of magnitude.

  DOI：

  10.1023/a:1015322118490
• 作为试剂：
  描述：

  4-nitrophenyl azide 、 芴 在 Co(2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenylporphinato) 作用下， 反应 2.5h， 生成 N-(4-nitrophenyl)fluorenimine 、 4-硝基苯胺 、 二(4-硝基苯基)二氮烯
  参考文献：
  名称：

  CoII（卟啉）配合物催化的芳基叠氮化物对苄基 C-H 键的胺化。产生仲胺和亚胺的新反应

  摘要：

  CoII(卟啉)配合物催化芳族叠氮化物ArN3与含有苄基R1R2R3CH的烃反应生成相应的胺R1R2R3C-NHAr。当至少一个 R1-R3 取代基是氢时，催化反应进一步进行，以良好的收率得到亚胺 R1R2CNAr。

  DOI：

  10.1039/b006136k

文献信息

• The effect of chemical modification of the macrocycle on the complex formation between porphyrins and metal salts in organic solvents
  作者：O. V. Maltceva、N. Zh. Mamardashvili

  DOI：10.1134/s1070363217060123

  日期：2017.6

  The complex formation of β-octaethylporphyrin, β-octaethyl-meso-monophenylporphyrin, β-octaethyl-meso-tetraphenylporphyrin, meso-diphenylporphyrin, meso-triphenylporphyrin, and meso-tetraphenylporphyrin with Zn(II), Cu(II), Co(II), and Mn(II) acetates and chlorides in dimethylformamide, dimethylsulfoxide, pyridine, acetic acid, and a chloroform–methanol 1 : 1 mixture has been studied by means of spectrophotometry

  复合物的形成β-八乙基卟啉，β-octaethyl-的内消旋-monophenylporphyrin，β-octaethyl-内消旋-tetraphenylporphyrin，内消旋-diphenylporphyrin，内消旋-triphenylporphyrin和内消旋-四苯基卟啉用Zn（II），铜（II），钴（II ），通过分光光度法研究了二甲基甲酰胺，二甲基亚砜，吡啶，乙酸和氯仿-甲醇1：1混合物中的乙酸锰和氯化锰（II）。所观察到的规定与不同复杂性的卟啉中NH键的化学反应性概念一致。
• Metal dependence of the nonplanar distortion of octaalkyltetraphenylporphyrins
  作者：L. D. Sparks、C. J. Medforth、M. S. Park、J. R. Chamberlain、M. R. Ondrias、M. O. Senge、K. M. Smith、J. A. Shelnutt

  DOI：10.1021/ja00055a030

  日期：1993.1

  the meso bridges (increases in the C[sub [alpha]]-C[sub m] bond length and the C[sub [alpha]]-C[sub m]-C[sub [alpha]] bond angle) and a movement of the coordinating nitrogen atoms away from the metal atom (increases in the M-N bond length andmore » the C[sub [alpha]]-N-C[sub [alpha]] bond angle and a decrease in the N-C[sub [alpha]] bond length). In the second part, a combination of molecular mechanics

  蛋白质中卟啉和相关四吡咯的生物活性可能受非平面构象扭曲的调节；因此，在高度非平面的八烷基四苯基卟啉（OATPP）中研究了非平面性的两个方面。在第一部分中，中心金属离子（M = Ni(II)、Co(II)、Cu(II)、Zn(II)、Co(III)、Fe(III)）对构象的影响已确定 OATPP 大环。晶体学研究表明，空间受阻的非平面卟啉 2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-四苯基卟啉 (OETPP) 保持足够的柔韧性，显示非平面性略有下降对于大金属离子。OETPP 金属配合物的这种非平面性的降低是通过使用从平面金属卟啉的结构和振动数据得出的分子力学力场来预测的。对 OETPP 的 Co(II) 和 Cu(II) 配合物的晶体结构的详细分析表明，键长和键角的金属依赖性变化与观察到的 OEP 配合物的变化在性质上相似。随着金属尺寸的增加，OEPs 和
• Dual-Channel-Mediated Spin Coupling for One-Electron-Oxidized Cobalt(II)-Saddled Porphyrin
  作者：Ru-Jen Cheng、Yu-Hsuan Chen、Ching-Chin Chen、Gene-Hsiang Lee、Shie-Ming Peng、Peter Ping-Yu Chen

  DOI：10.1021/ic501120k

  日期：2014.9.2

  Saddle-shaped Co-II[OET(p-R)PP] (R = CF3, H, CH3) can be readily oxidized with Cl-2, Br-2, and I-2 to the corresponding one-electron-oxidation product Co[OET(p-R)PP]X (X = Cl, Br, I) with the clear character of a ring cation radical. With the series of H-1 and C-13 NMR spectra of these related complexes, both the axial ligand and peripheral substituent of the ring macrocycle are proven to act as a dual channel to tune spin coupling between low-spin Co(II) and a porphyrin itcation radical. Density functional theory calculations have shown that the antiferromagnetic coupling between spins residing in d(z)(2) and a(2u) are expected to exist as the ground state. The paramagnetic properties are attributed to an a(1u)-type ferromagnetic excited triplet state.
• ——
  作者：E. M. Kuvshinova、D. L. Kuz'min、S. G. Pukhovskaya、A. S. Semeikin、O. A. Golubchikov

  DOI：10.1023/a:1025673427341

  日期：——

  Octaethyl-, 5-phenyloctaethyl-, 5,15-diphenyloctaethyl-, 5,10,15,20-tetraphenyloctaethyl, and dodecaphenylporphyrins were prepared, and their geometries were optimized by the method of molecular mechanics. The deformation of the porphyrin macroring grows as the number of phenyl groups is increased. The dissociation kinetics of the manganese, cobalt, and copper complexes of the porphyrins in solutions of sulfuric acid in acetic acid were studied. The kinetic parameters of the dissociation of metal porphyrins were analyzed in relation to the porphyrin structure and nature of the metal.
• Medforth, Craig J.; Hobbs, J. David; Rodriguez, Marisol R., Inorganic Chemistry, 1995, vol. 34, # 6, p. 1333 - 1341
  作者：Medforth, Craig J.、Hobbs, J. David、Rodriguez, Marisol R.、Abraham, Raymond J.、Smith, Kevin M.、Shelnutt, John A.

  DOI：——

  日期：——