| 212497-29-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 212497-29-5
• 化学式: C₃₆H₄₆CoN₄O₂
• 分子量: 625.78
• InChiKey: IGWCVHJFCAECHD-UHFFFAOYSA-M

计算性质

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

反应信息

• 作为反应物：
  描述：

  在 air 作用下， 以 not given 为溶剂， 生成 cobalt(2+);(5Z)-5-[(3,4-diethyl-5-oxopyrrol-2-yl)methylidene]-3,4-diethylpyrrol-1-id-2-one;(5E)-5-[(3,4-diethyl-5-oxopyrrol-2-yl)methylidene]-3,4-diethylpyrrol-1-id-2-one
  参考文献：
  名称：

  Carbon Monoxide Production during the Oxygenation of Cobalt Complexes of Linear Tetrapyrroles. Formation and Characterization of Co^II(tetraethylpropentdyopent anion)₂

  摘要：

  In the presence of dioxygen, four cobalt complexes of linear tetrapyrroles, Co(OEB) (OEB is the trianion of octaethylbiliverdin), [Co-II(OEBOx)]I-3 (OEBOx is the monoanion of the oxidized form of octaethylbiliverdin), Co-II(OEFB) (OEFB is the octaethylformylbiliverdin dianion), and Co-II(OEBOMe) (OEBOMe is the dianion of octaethylmethoxybiliverdin) form the bischelate cobalt(II)) complex of the anionic dipyrrole tetraethylpropentdyopent anion, Co-II(TEPD)(2). Both carbon monoxide and carbon dioxide are formed when Co-II(TEPD)(2) is produced by the thermal reactions between Co-II(OEFB) or Co(OEB) and O-2. Three different crystal morphologies of Co-II(TEPD)2 have been analyzed by single-crystal X-ray diffraction. In each case the cobalt atom is coordinated by four nitrogen atoms of the two propentdyopent ligands in a pseudotetrahedral fashion. In each morphology, a common tab/slot intermolecular C-H ... O hydrogen bond interaction that involves the methine C-H unit and two adjacent C-H units of the flanking ethyl groups and the lactam oxygen atom is found. These interactions connect pairs of molecules into extended chains. Co-II(TEPD)2 has been characterized spectroscopically (UV-vis and NMR) and electrochemically.

  DOI：

  10.1021/ic971265q