Co(5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrinato)*CH2Cl2 | 320749-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: Co(5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrinato)*CH2Cl2
• CAS: 320749-35-7
• 化学式: CH₂Cl₂*C₅₈H₄₂CoN₄O₈
• 分子量: 1066.92
• InChiKey: PZOZJKGSCHYOAA-MBTHVSCISA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  氯仿 、 Co(5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrinato)*CH2Cl2 、 氧化亚氮 在 1,2-dimethylimidazole 作用下， 以 氯仿 为溶剂， 生成 Co(5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrinato)(NO)*0.46CHCl3
  参考文献：
  名称：

  Syntheses and Structural Characterization of the (OC_nOPor) Capped Porphyrins:  Co(OC₂OPor)·CH₂Cl₂, Co(OC₂OPor)(NO)_out·0.46CHCl₃, Co(OC₃OPor)·CHCl₃, and Co(OC₃OPor)(MeIm)·3C₇H₈

  摘要：

  The compounds Co(OC(2)OPor). CH2Cl2 (1), Co(OC(2)OPor)(NO)(out).0.46CHCl(3) (2), Co(OC(3)OPor). CHCl3 (3), and Co(OC(3)OPor)(MeIm). 3C(7)H(8) (4) (OC(2)OPor = 5,10, 15,20-(benzene-1,2,4, 5-tetrakis(2-phenyloxy)ethoxy)-2',2 ", 2''',2''''-tetraylporphyrinato dianion; OC(3)OPor = 5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)propoxy)-2',2 " ,2''',2''''-tetraylporphyrinato dianion; MeIm = 1-methylimidazole), have been synthesized, and their structures have been determined by single-crystal X-ray diffraction methods at T = -120 degreesC: 1, a = 8,824(1) Angstrom, b = 16.674(1) Angstrom, c = 16.836(1) Angstrom, alpha = 103.453(1)degrees, beta = 92.752(1)degrees, gamma = 90.983(1)degrees, P (1) over bar, Z = 2; 2, a = 9.019(1) Angstrom, b = 16.588(2) Angstrom, c = 16.909(2) Angstrom, alpha = 103.923(2)degrees, beta = 92.082(2)degrees, gamma = 93.583(2)degrees, P (1) over bar, Z = 2; 4, a = 13.484(3) Angstrom, b = 14.404(3) Angstrom, c = 14.570(3) Angstrom, alpha = 105.508(3)degrees, beta = 100.678(3)degrees, gamma = 93.509(4)degrees, P (1) over bar, Z = 2; 3, a = 16.490(1) Angstrom, b = 22.324(2) Angstrom, c = 17.257(1) Angstrom, b = 92.437(1)degrees, P2(1)/n, Z = 4, These compounds are the first structurally characterized Go-bound members of the OC(n)OPor ligand system. The NO ligand in 2 and the MeIm ligand in 4 bind asymmetrically and lead to several metrical changes in these porphyrins, e.g., variations in average porphryin deviations and Co atom displacements relative to the porphyrinato N atoms and the mean porphyrin planes.

  DOI：

  10.1021/ic0006753
• 作为产物：
  描述：

  5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrin 、 cobalt(II) diacetate tetrahydrate 在 NEt₄Cl 作用下， 以 溶剂黄146 为溶剂， 生成 Co(5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)ethoxy)-2',2'',2''',2''''-tetraylporphyrinato)*CH2Cl2
  参考文献：
  名称：

  Syntheses and Structural Characterization of the (OC_nOPor) Capped Porphyrins:  Co(OC₂OPor)·CH₂Cl₂, Co(OC₂OPor)(NO)_out·0.46CHCl₃, Co(OC₃OPor)·CHCl₃, and Co(OC₃OPor)(MeIm)·3C₇H₈

  摘要：

  The compounds Co(OC(2)OPor). CH2Cl2 (1), Co(OC(2)OPor)(NO)(out).0.46CHCl(3) (2), Co(OC(3)OPor). CHCl3 (3), and Co(OC(3)OPor)(MeIm). 3C(7)H(8) (4) (OC(2)OPor = 5,10, 15,20-(benzene-1,2,4, 5-tetrakis(2-phenyloxy)ethoxy)-2',2 ", 2''',2''''-tetraylporphyrinato dianion; OC(3)OPor = 5,10,15,20-(benzene-1,2,4,5-tetrakis(2-phenyloxy)propoxy)-2',2 " ,2''',2''''-tetraylporphyrinato dianion; MeIm = 1-methylimidazole), have been synthesized, and their structures have been determined by single-crystal X-ray diffraction methods at T = -120 degreesC: 1, a = 8,824(1) Angstrom, b = 16.674(1) Angstrom, c = 16.836(1) Angstrom, alpha = 103.453(1)degrees, beta = 92.752(1)degrees, gamma = 90.983(1)degrees, P (1) over bar, Z = 2; 2, a = 9.019(1) Angstrom, b = 16.588(2) Angstrom, c = 16.909(2) Angstrom, alpha = 103.923(2)degrees, beta = 92.082(2)degrees, gamma = 93.583(2)degrees, P (1) over bar, Z = 2; 4, a = 13.484(3) Angstrom, b = 14.404(3) Angstrom, c = 14.570(3) Angstrom, alpha = 105.508(3)degrees, beta = 100.678(3)degrees, gamma = 93.509(4)degrees, P (1) over bar, Z = 2; 3, a = 16.490(1) Angstrom, b = 22.324(2) Angstrom, c = 17.257(1) Angstrom, b = 92.437(1)degrees, P2(1)/n, Z = 4, These compounds are the first structurally characterized Go-bound members of the OC(n)OPor ligand system. The NO ligand in 2 and the MeIm ligand in 4 bind asymmetrically and lead to several metrical changes in these porphyrins, e.g., variations in average porphryin deviations and Co atom displacements relative to the porphyrinato N atoms and the mean porphyrin planes.

  DOI：

  10.1021/ic0006753