4-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]-2-[(3Z)-3-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]propyl]cyclohex-3-en-1-ol | 130434-31-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]-2-[(3Z)-3-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]propyl]cyclohex-3-en-1-ol
• CAS: 130434-31-0
• 化学式: C₂₄H₁₈F₁₀N₂O₃
• 分子量: 572.403
• InChiKey: JGHRPRSUKKXRCT-GADYMZDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.4
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  戊二醛 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 5.0h， 生成 4-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]-2-[(3Z)-3-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]propyl]cyclohex-3-en-1-ol
  参考文献：
  名称：

  Structure of a new oligomer of glutaraldehyde produced by aldol condensation reaction

  摘要：

  Glutaraldehyde (GA) was found to yield a new dimer when treated in an aqueous alkaline solution. This dimer was identified as a substance that had previously been known to be responsible for the high activity of certain immobilized enzymes prepared by using alkali-treated GA solution as a coupling agent. The dimer was isolated, and its structure was investigated by the various spectrometries. UV and IR spectra suggested the existence of an alpha,beta-unsaturated formyl group and a hydroxyl group in its molecule, and GC-MS analysis indicated the molecular formula C10H14O3 (MW 182). The existence of two formyl groups was confirmed by GC-MS of the dimer derived to O-(pentafluorobenzyl) oxime (O-PFB oxime) and further to its TMS derivative, respectively. The structure of the O-PFB derivative was determined by two-dimensional NMR H-1-H-1 and H-1-C-13 spin-coupling networks in homonuclear shift correlation spectra and in proton detected heteronuclear multiple-bond connectivity spectra. Taking these results into account, we proposed the structure of the GA dimer.

  DOI：

  10.1021/jo00002a038