2-aza-2-(3'-phenoxypropyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N''-O) copper(II) | 1388715-30-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2-aza-2-(3'-phenoxypropyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N''-O) copper(II)
• 英文别名: [Cu(2-NCH2CH2CH2-O-C6H5-NCTPPO)]；2-aza-2-(3'-phenoxypropyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N''-O)copper(II)
• CAS: 1388715-30-7
• 化学式: C₅₃H₃₈CuN₄O₂
• 分子量: 826.456
• InChiKey: MRLFKRUGYZTAKI-QEIHEZJXSA-M

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

• 作为产物：
  描述：

  2-NCH2CH2CH2OC6H5NCTPPH 在 氧气 、 copper diacetate 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 12.0h， 以60.5%的产率得到2-aza-2-(3'-phenoxypropyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N''-O) copper(II)
  参考文献：
  名称：

  Molecular structures of Cu(II), Rh(III) complexes of 2-N substituted N-confused porphyrin inner C-oxide

  摘要：

  The crystal structures of a paramagnetic copper(II) complex 2-aza-2-(3'-phenoxypropyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N ''-O) copper(II) [Cu(2-NCH2CH2CH2-O-C6H5NCTPPO; 7)] and a diamagnetic rhodium(III) complex chloro (2-aza-2-benzyl-5,10,15,20-tetraphenyl-21-carbaporphyrinato-N,N',N ''-O) rhodium(III) [Rh(2-N-CH2C6H5NCTPPO)Cl; 8] have been established. The coordination sphere around the Cu2+ ion in 7 is distorted square planar, whereas for Rh3+ in 8, it is a distorted octahedron. A copper(II) complex 7 has been isolated and characterized by electron spin resonance spectroscopy with a structure incorporating an Cu-O-C unit. The Rh-O 2.043(2) angstrom and Rh-C(17) 2.170(3) angstrom distances in 8 suggests a direct interaction between the rhodium center and the pi electron density on the carbonyl group in a eta(2) fashion. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.05.018