| 153819-61-5

• CAS: 153819-61-5
• 化学式: C₁₇H₁₈O₄W
• 分子量: 470.178
• InChiKey: FWYWTNVDQIWYFT-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  pentacarbonyl(methoxyphenylmethylene)tungsten(0) 、 3-己炔 以 苯 为溶剂， 生成
  参考文献：
  名称：

  第6组菲舍尔卡宾配合物与炔烃的反应：金属对产物分布的影响以及非互变异构化环己二酮配合物的分离

  摘要：

  The first comparative study on the effect of the nature of the metal on the reactions of unsaturated group 6 Fischer carbene complexes with alkynes is reported. The scope of the study includes both aryl- and alkenylcarbene complexes of chromium, molybdenum, and tungsten for both internal and terminal alkynes. Twenty-one different organic structural types have been isolated and characterized from these reactions, but in most instances phenols and indene (cyclopentadiene) products are the two most frequently observed. The general observation made is that phenol formation is favored over indene (cyclopentadiene) formation in the order chromium > tungsten > molybdenum. The effect of the concentration of the alkyne on the distribution between phenol and indene (cyclopentadiene) was also examined and was found to be most prevalent in the order molybdenum > chromium > tungsten. The bis(alkyne)(eta4-cyclohexadienone)molybdenum complex 107 has been isolated in which the final tautomerization to the phenol product has not occurred. This complex has been characterized by X-ray diffraction and provides support for the previous interpretations of the concentration effects for the reactions of chromium complexes. This complex is the first example of the long-proposed ultimate intermediate in these reactions. Crystal data for 107: space group P2(1)/c, Z = 4, a = 19.088(4) angstrom, b = 10.101(1) angstrom c = 14.578(3) angstrom, a = 90.0-degrees, beta = 109.917(13)-degrees, gamma = 90.0-degrees, R = 0.0598, and R(w) = 0.0788 for the 2405 reflections observed.

  DOI：

  10.1021/om00013a021