| 1605284-12-5

• 分子结构分类: 有机化合物 - 苯类化合物
• CAS: 1605284-12-5
• 化学式: C₃₅H₄₄O₈
• 分子量: 592.73
• InChiKey: CXDPHGOGXAYXTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  43.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  95.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  丁炔二醇 、 5,5-Bis(methoxymethyl)-14,17,20,23-tetraoxatricyclo[23.2.2.29,12]hentriaconta-1(28),9,11,25(29),26,30-hexaen-2,7-diyne 在 tris(triphenylphosphine)rhodium(l) chloride 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 6.0h， 以59%的产率得到
  参考文献：
  名称：

  A Strain Induced Change of Mechanism from a [2 + 2 + 2] to a [2 + 1 + 2 + 1] Cycloaddition Reaction

  摘要：

  While investigating the [2 + 2 + 2] cycloaddition as a tool to build up strained oligophenyl systems with a diyne-ethylene glycol macrocyle, a surprising change of mechanism was observed. Instead of the expected [2 + 2 + 2] para-terphenyl, the ortho-terphenyl product explained by a formal [2 + 1 + 2 + 1] cycloaddition was formed. An eta(4)-coordinated metal-cyclobutadiene is proposed as the key structure in the catalytic cycle, which is formed to release the induced strain. The optical properties of the ortho-terphenyl products have been measured as well as the coordination ability of Na+ and K+.

  DOI：

  10.1021/ol5007604