Octacyclo[43.4.0.03,8.010,15.017,22.024,29.031,36.038,43]nonatetraconta-1(49),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47-henicosaene-2,16-diol | 154618-88-9

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: Octacyclo[43.4.0.03,8.010,15.017,22.024,29.031,36.038,43]nonatetraconta-1(49),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47-henicosaene-2,16-diol
• CAS: 154618-88-9
• 化学式: C₄₉H₄₂O₂
• 分子量: 662.871
• InChiKey: MILBAXJDQVOTKW-UHFFFAOYSA-N

物化性质

• 沸点：
  823.2±60.0 °C(predicted)
• 密度：
  1.152±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  51
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Octacyclo[43.4.0.03,8.010,15.017,22.024,29.031,36.038,43]nonatetraconta-1(49),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47-henicosaene-2,16-diol 以31%的产率得到
  参考文献：
  名称：

  Lee Woo Young, Park Chang Hee, Kim Hyo-Joong, Kim Sangsoo, J. Org. Chem, 59 (1994) N 4, S 878-884

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(tetrahydropyranyloxy)methylbromobenzene 在 copper(l) iodide 、 正丁基锂 、 Celite 、 对甲苯磺酸 、 magnesium 、 pyridinium chlorochromate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 54.0h， 生成 Octacyclo[43.4.0.03,8.010,15.017,22.024,29.031,36.038,43]nonatetraconta-1(49),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47-henicosaene-2,16-diol
  参考文献：
  名称：

  Orthocyclophanes. 3. Ketonands, Novel Ketonic Crowns of Polyoxo[1n]orthocyclophane Constitution

  摘要：

  Synthetic studies of a new family of novel ketonic macrocycles are reported. Exhaustive oxidation of all of the methylenes in odd-numbered [1(n)]orthocyclophanes ([1(n)]OCPs) resulted in the polyoxo derivatives of a cyclopolyorthobenzoyl or polyoxo[1(n)]orthocyclophane constitution. This new class of ketonic crowns is referred to as [1(n)]orthocyclophanepolyones and includes [1(5)] orthocyclophane-pentaone, [1(7)]orthocyclophaneheptaone, and [1(9)]orthocyclophanenonaone. We suggest the generic name ''ketonands'' for these ketonic crowns. Structures of ketonands were confirmed by spectral and X-ray crystallographic analyses.

  DOI：

  10.1021/jo00083a033

文献信息

• Lee Woo Young, Park Chang Hee, Kim Hyo-Joong, Kim Sangsoo, J. Org. Chem, 59 (1994) N 4, S 878-884
  作者：Lee Woo Young, Park Chang Hee, Kim Hyo-Joong, Kim Sangsoo

  DOI：——

  日期：——
• Orthocyclophanes. 3. Ketonands, Novel Ketonic Crowns of Polyoxo[1n]orthocyclophane Constitution
  作者：Woo Young Lee、Chang Hee Park、Hyo-Joong Kim、Sangsoo Kim

  DOI：10.1021/jo00083a033

  日期：1994.2

  Synthetic studies of a new family of novel ketonic macrocycles are reported. Exhaustive oxidation of all of the methylenes in odd-numbered [1(n)]orthocyclophanes ([1(n)]OCPs) resulted in the polyoxo derivatives of a cyclopolyorthobenzoyl or polyoxo[1(n)]orthocyclophane constitution. This new class of ketonic crowns is referred to as [1(n)]orthocyclophanepolyones and includes [1(5)] orthocyclophane-pentaone, [1(7)]orthocyclophaneheptaone, and [1(9)]orthocyclophanenonaone. We suggest the generic name ''ketonands'' for these ketonic crowns. Structures of ketonands were confirmed by spectral and X-ray crystallographic analyses.