N-phenyl-N'-(2-fluorenyl)urea | 60550-99-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-phenyl-N'-(2-fluorenyl)urea
• 英文别名: N-fluoren-2-yl-N'-phenyl-urea；N-Fluoren-2-yl-N'-phenyl-harnstoff；1-(9H-fluoren-2-yl)-3-phenylurea
• CAS: 60550-99-4
• 化学式: C₂₀H₁₆N₂O
• 分子量: 300.36
• InChiKey: CGJPGOKDPQVILJ-UHFFFAOYSA-N

物化性质

• 熔点：
  305 °C
• 沸点：
  412.4±24.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  异氰酸-9H-芴-2-酯 、 苯胺 生成 N-phenyl-N'-(2-fluorenyl)urea
  参考文献：
  名称：

  Fluorene Compounds. Nitrogen Derivatives

  摘要：

  DOI：

  10.1021/ja01278a039

文献信息

• Enzyme Induction and Comparative Oxidative Desulfuration of Isothiocyanates to Isocyanates
  作者：Mei-Sie Lee

  DOI：10.1021/tx950213f

  日期：1996.1.1

  Enzyme induction of oxidative metabolism of isothiocyanates to isocyanates by rat liver microsomes and comparative metabolic conversion of some isothiocyanates were investigated. Metabolic activity was assayed by trapping the isocyanate metabolites from isothiocyanates with the inclusion of 2-aminofluorene to form the respective mixed ureas as previously described for the 2-naphthyl isothiocyanate. Male F344 rats were fed either a conventional grain diet for induction with Aroclor 1254 or AIN 76A diet without antioxidant beginning 2 weeks before treatment with Aroclor 1254, beta-naphthoflavone, isosafrole, or phenobarbital. Enzymes responsible for the metabolism of 1- and 2-naphthyl isothiocyanate were inducible by all four agents, Aroclor being the best under the current induction protocol and metabolic conversion assay procedure. On the other hand, enzymes responsible for the metabolism of benzyl isothiocyanate were induced only by Aroclor and, to a lesser extent, by phenobarbital. For the comparative metabolic conversion studies, using the microsomes from Aroclor-treated rats fed a conventional grain diet, the rates of metabolic conversion followed the order of 1-naphthyl much greater than phenyl>benzyl and phenethyl much greater than propyl, ethyl, and methyl isothiocyanates.
• Fluorene Compounds. Nitrogen Derivatives
  作者：Francis Earl Ray、George Rieveschl

  DOI：10.1021/ja01278a039

  日期：1938.11