Carbon monoxide;cobalt;ethyl but-2-ynoate | 220211-19-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Carbon monoxide;cobalt;ethyl but-2-ynoate
• CAS: 220211-19-8
• 化学式: C₁₂H₈Co₂O₈
• 分子量: 398.177
• InChiKey: VWIHMOAQGBEQOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.34
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Carbon monoxide;cobalt;ethyl but-2-ynoate 、 一氧化碳 以 正己烷 为溶剂， 以3%的产率得到Co3(CO)9(μ3-CC(H)Me(CO2Et))
  参考文献：
  名称：

  On the behaviour of dimethyl acetylenedicarboxylate in carbonylation and Khand reactions

  摘要：

  Dimethyl acetylenedicarboxylate (DMAD) has been used as the alkyne component in the Khand reaction with norbornene under both thermal and N-oxide promoted conditions. Its thermolysis under CO pressure has also been reinvestigated and the structure of one of the trinuclear rearrangement products, MeO2C . CH2CCo3(CO)(9), confirmed by X-ray crystallography; (MeOOC)(2)CHCH(COOMe)(2) is the principal metal-free product from this reaction. Methyl but-2-ynoate undergoes similar rearrangement yielding MeO2C . CHMe . CCo3(CO)(9). (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)01202-9

文献信息

• Synthesis of Dicarbonyl(η⁴-tricarbonylcobaltacyclopentadiene)cobalt Complexes from Co₂(CO)₈. A General Route to Intermediates in Cobalt Carbonyl Mediated Alkyne Trimerization
  作者：R. John Baxter、Graham R. Knox、Peter L. Pauson、Mark D. Spicer

  DOI：10.1021/om980544y

  日期：1999.1.1

  cobaltacyclopentadiene complexes, derived from cobalt carbonyl and two alkyne molecules and long believed to be intermediates in cyclotrimerization as well as in the formation of the (three-alkyne-derived) “flyover” complexes, can be isolated in selected cases if the mono(alkyne)−Co2(CO)6 complexes are treated at room temperature with just 1 equiv of alkyne in the presence of trimethylamine N-oxide. The complex (PhCCHCMeCMe)Co2(CO)5

  我们已经表明，在某些情况下，可以分离出衍生自羰基钴和两个炔烃分子的钴环戊二烯络合物，人们长期以来认为它们是环三聚化以及（三炔烃衍生的）“立交”络合物形成中的中间体。在三甲胺N-氧化物存在下，仅用1当量的炔在室温下处理单（炔）-Co 2（CO）6络合物。配合物（PhC CHCMe CMe）Co 2（CO）5已通过X射线晶体学表征。