Rh(bocp)CH3 | 441353-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Rh(bocp)CH3
• CAS: 441353-11-3
• 化学式: C₆₁H₅₅Cl₈N₄Rh
• 分子量: 1230.66
• InChiKey: ZQBFKRNLDAXFSK-YXERZAKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.1
• 重原子数：
  74.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  53.98
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  Rh(bocp)CH2CH2CN 在 2,2,6,6-tetramethylpiperidinoxy 作用下， 以 氘代苯 为溶剂， 生成 Rh(bocp)CH3
  参考文献：
  名称：

  Nonradical Trapping Pathway for Reactions of Nitroxides with Rhodium Porphyrin Alkyls Bearing β-Hydrogens and Subsequent Carbon−Carbon Bond Activation

  摘要：

  A novel nitroxide-induced hydrogen atom abstraction and beta-elimination of rhodium porphyrin alkyls has been observed. Subsequent carbon-carbon bond activation of methyl-substituted nitroxides by the rhodium(II) porphyrin radical yielded rhodium porphyrin methyl complexes.

  DOI：

  10.1021/om0201718

文献信息

• Reactions of nitroxides with metalloporphyrin alkyls bearing beta hydrogens: Aliphatic carbon–carbon bond activation by metal centered radicals
  作者：Kin Shing Chan、Kin Wah Mak、Man Kin Tse、Siu Kwan Yeung、Bao Zhu Li、Yun Wai Chan

  DOI：10.1016/j.jorganchem.2007.11.009

  日期：2008.2

  Nitroxide-induced beta-hydrogen atom abstraction and beta-elimination of rhodium porphyrin alkyls have been observed. Rhodium(II) porphyrin radical were proposed intermediates to form first and subsequently reacted via aliphatic carbon–carbon bond activation with alkyl substituted nitroxides to yield rhodium porphyrin alkyl complexes.

  已经观察到亚硝酸盐诱导的β-氢原子提取和铑卟啉烷基的β消除。提出了铑（II）卟啉自由基的中间体，该中间体首先形成，然后通过脂族碳-碳键活化与烷基取代的氮氧化物反应，生成铑卟啉烷基络合物。