dilithium;chromium(4+);5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide;oxolane;oxygen(2-) | 175223-11-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: dilithium;chromium(4+);5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide;oxolane;oxygen(2-)
• CAS: 175223-11-7
• 化学式: C₄₈H₇₂CrLi₂N₄O₄
• 分子量: 835.002
• InChiKey: VRTKVOMGUNGQTO-UHFFFAOYSA-N

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：

  、 氧气 以 甲苯 为溶剂， 生成 dilithium;chromium(4+);5,5,10,10,15,15,20,20-octaethylporphyrin-21,22,23,24-tetraide;oxolane;oxygen(2-)
  参考文献：
  名称：

  One- vs Two-Electron Reduction of N₂O Promoted by a Divalent Chromium Macrocyclic Complex

  摘要：

  Reaction of [Cr(ORPG)Li-2(THF)(4)] (1) [ORPG = octaalkylporphyrinogen R = Et (a), n-Pr (b)] with N2O gave two different products depending on the solvent employed. While a deoxygenation reaction was observed in toluene with formation of the Cr(IV) complex [(THF)(ORPG)Cr(O)(LiTHF)(2)] (2), reactions carried out in THF yielded a Cr(III) species [Cr(ORPG)(THF)(2)][Li(THF)(4)] (3) where only one electron was transferred to N2O. The structures of 1b, 2a, and 3a have been elucidated by X-ray crystal structures. Crystal data are as follows. 1b: C60H96O4CrN4Li2, monoclinic P2(1)/c, a = 20.504(2) Angstrom, b = 12.347(1) Angstrom, c = 22.524(1) Angstrom, beta = 94.56(1)degrees, Z = 4. 2a: C48H72O4CrN4Li2, monoclinic P2(1)/n, a = 11.687(1) Angstrom, b = 20.273(3) Angstrom, c = 19.467(3) Angstrom, beta = 100.27(1)degrees, Z = 4. 3a: C60H96O6CrN4Li, monoclinic P2(1)/c, a = 13.884(1) Angstrom, b = 16.170(1) Angstrom, c = 25.514(2) Angstrom, beta = 90.59(1)degrees, Z = 4.

  DOI：

  10.1021/ic9510728