| 1187844-40-1

• CAS: 1187844-40-1
• 化学式: C₂₂H₂₂CoNO₂S₂
• 分子量: 455.547
• InChiKey: YKZPSWHJKCPYLG-NDXGFPCWSA-L

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：
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• 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

• 作为产物：
  描述：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 carbon monoxide,cobalt,cyclopenta-1,3-diene 、 4-(6-(benzyloxy)pyridin-2-yl)-2-methylbut-3-yn-2-ol 以 xylene 为溶剂， 以18%的产率得到
  参考文献：
  名称：

  Hydrogen bonding interaction of CpCo(Dithiolene) complex with monocyclic 2-pyridonyl substituent and unexpected formation of dithiolene-fused tricyclic pyridone derivative

  摘要：

  One-pot reaction of [CpCo(CO)(2)], elemental sulfur with some heterocycle-substituted alkynes (R-C C-HET) produced [CpCo(dithiolene)] complexes with (PyOBn)-Py-2 (2), with both (PyOBn)-Py-2 and 2-hydroxy-2-propyl groups (C(OH)Me-2) (5), both Py-2 and C(OH)Me-2 (8), both Py-4 and C(OH)Me-2 (11), and with Py-4 substituent (13). A deprotection of benzyl group (Bn) from 2 with trimethylsilyl iodide formed [CpCo(dithiolene)] with 2-pyridonyl substituent (3). Heating reaction of 8 without any base resulted in the C(OH)Me-2 group elimination to form the 2-pyridylethylenedithiolate complex (9), but 11 underwent only dehydration at the C(OH)Me-2 under heating. While the preparation of 5, the benzyl free complex (6) was obtained as a main product. 6 has a dithiolene-fused tricyclic pyridone skeleton. The structures of 3, 5, 6, 8, and 11 were determined by X-ray diffraction studies. Intramolecular OH center dot center dot center dot N(Py-2) hydrogen bondings are found in 5 and 8, and an intermolecular OH center dot center dot center dot N(Py-4) one is found in 11 at solid state. In the 2-pyridonyl complex 3, intermolecular NH center dot center dot center dot O and CH(dithiolene)center dot center dot center dot O hydrogen bondings are observed. 8 showed an intermolecular Cp center dot center dot center dot Cp face-to-face interaction. The tricyclic complex 6 exhibited lower energy electronic absorption (lambda(max) = 668 nm) compared with the others (lambda(max) = 562-614 nm), due to an extended pi-conjugation of aromatic cobaltadithiolene ring. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.04.022