2-Methyl-5-nitro-2-(2-phenylethyl)-1,3-benzodioxole | 600723-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2-Methyl-5-nitro-2-(2-phenylethyl)-1,3-benzodioxole
• CAS: 600723-61-3
• 化学式: C₁₆H₁₅NO₄
• 分子量: 285.299
• InChiKey: LDXQQWZNZJPXJT-UHFFFAOYSA-N

物化性质

• 沸点：
  405.9±34.0 °C(Predicted)
• 密度：
  1.244±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methyl-5-nitro-2-(2-phenylethyl)-1,3-benzodioxole 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N-(2-Methyl-2-phenethyl-benzo[1,3]dioxol-5-yl)-3-(3-nitro-phenyl)-propionamide
  参考文献：
  名称：

  Effect of catechol derivatives on cell growth and lipoxygenase activity

  摘要：

  Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC50 similar to 1 muM) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00528-6
• 作为产物：
  描述：

  4-硝基儿茶酚 、 苄基丙酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以68%的产率得到2-Methyl-5-nitro-2-(2-phenylethyl)-1,3-benzodioxole
  参考文献：
  名称：

  Effect of catechol derivatives on cell growth and lipoxygenase activity

  摘要：

  Derivatives of salicylic acid have been synthesized as potential lipoxygenase inhibitors. Agents containing a phenolic dihydroxy moiety showed potent (IC(50)10(-6)-10(-7) M) inhibition of the growth of murine colonic tumour cells in vitro, and were effective inhibitors of 5-, 12- and 15-lipoxygenase in intact cells. The catechols were also potent inhibitors of rabbit reticulocyte 15-lipoxygenase (IC50 similar to 1 muM) (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00528-6