5α,10β,15α,20β-tetrakis(2-(N,N-dimethylaminoacetamido)phenyl)porphyrinatoiron(III) chloride | 741706-84-3

• 英文名称: 5α,10β,15α,20β-tetrakis(2-(N,N-dimethylaminoacetamido)phenyl)porphyrinatoiron(III) chloride
• CAS: 741706-84-3
• 化学式: C₆₀H₆₀ClFeN₁₂O₄
• 分子量: 1104.51
• InChiKey: SJNQICBWVDWVOM-DVILJPBBSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  盐酸 、 碘甲烷 、 水 、 5α,10β,15α,20β-tetrakis(2-(N,N-dimethylaminoacetamido)phenyl)porphyrinatoiron(III) chloride 以 N,N-二甲基甲酰胺 为溶剂， 以57%的产率得到5α,10β,15α,20β-tetrakis(2-(N,N,N-trimethylammoniumacetamido)phenyl)porphyrinatoiron(III) chloride hexahydrate
  参考文献：
  名称：

  Nitric oxide binding to cationic and anionic ferric porphyrins in aqueous solution: reversible formation of ferrous NO species of the cationic porphyrin

  摘要：

  Two water-soluble ferric porphyrins, sodium 5alpha,10beta,15alpha,20beta-tetrakis(2-(sulfonatoacetamido)phenyl)porphyrinatoiron(III) (Fe(III)TanP) and 5alpha,10beta,15alpha,20beta-tetrakis(2-(N,N,N-trimethylammoniumacetamido)phenyl)porphyrinatoiron(III) chloride ((FeT)-T-III-catP), were synthesized. The pK(a) values of the coordinated H2O of Fe(III)TanP and Fe(III)TcatP were evaluated to be 8.0 and 4.1, respectively. Reactions of NO with the ferric porphyrins were examined spectrophotometrically in aqueous solution. Porphyrin Fe(III)TanP binds NO reversibly to give the corresponding ferric NO species at pH 1.3 and pH 3.0, and Fe(III)TcatP reacts similarly with NO at pH 1.3. The thermodynamic data for the NO binding were estimated from van't Hoff plots. At pH 3.0, visible and ESR spectral data indicated that Fe(III)TcatP binds NO reversibly to produce ferrous NO species depending on NO partial pressures. These results were discussed based on through-space intramolecular interactions between the coordinated H2O or NO and the ionic substituents of the porphyrins. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.01.038
• 作为产物：
  描述：

  5α,10β,15α,20β-tetrakis(2-aminophenyl)porphyrinatoiron(III) chloride 、 N,N-二甲基甘氨酸盐酸盐 在 oxalyl chloride 、 triethyl amine 作用下， 以 二氯甲烷 为溶剂， 以53%的产率得到5α,10β,15α,20β-tetrakis(2-(N,N-dimethylaminoacetamido)phenyl)porphyrinatoiron(III) chloride
  参考文献：
  名称：

  Nitric oxide binding to cationic and anionic ferric porphyrins in aqueous solution: reversible formation of ferrous NO species of the cationic porphyrin

  摘要：

  Two water-soluble ferric porphyrins, sodium 5alpha,10beta,15alpha,20beta-tetrakis(2-(sulfonatoacetamido)phenyl)porphyrinatoiron(III) (Fe(III)TanP) and 5alpha,10beta,15alpha,20beta-tetrakis(2-(N,N,N-trimethylammoniumacetamido)phenyl)porphyrinatoiron(III) chloride ((FeT)-T-III-catP), were synthesized. The pK(a) values of the coordinated H2O of Fe(III)TanP and Fe(III)TcatP were evaluated to be 8.0 and 4.1, respectively. Reactions of NO with the ferric porphyrins were examined spectrophotometrically in aqueous solution. Porphyrin Fe(III)TanP binds NO reversibly to give the corresponding ferric NO species at pH 1.3 and pH 3.0, and Fe(III)TcatP reacts similarly with NO at pH 1.3. The thermodynamic data for the NO binding were estimated from van't Hoff plots. At pH 3.0, visible and ESR spectral data indicated that Fe(III)TcatP binds NO reversibly to produce ferrous NO species depending on NO partial pressures. These results were discussed based on through-space intramolecular interactions between the coordinated H2O or NO and the ionic substituents of the porphyrins. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.01.038