1,7-二甲氧基-4-硝基萘 | 1143-67-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1,7-二甲氧基-4-硝基萘
• 英文名称: 1,7-dimethoxy-4-nitronaphthalene
• 英文别名: 4,6-Dimethoxy-1-nitronaphthalene
• CAS: 1143-67-5
• 化学式: C₁₂H₁₁NO₄
• 分子量: 233.224
• InChiKey: DZUGHUSDFNZHGI-UHFFFAOYSA-N

物化性质

• 熔点：
  127-128 °C
• 沸点：
  403.4±30.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  1,7-二甲氧基-4-硝基萘 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 1,7-dimethoxy-4-aminonaphthalene
  参考文献：
  名称：

  Synthesis and biological activity of some known and putative duloxetine metabolites

  摘要：

  Several putative phase I duloxetine metabolites, 4-hydroxy-, 5-hydroxy-, 6-hydroxy-, 5-hydroxy-6-methoxy-, 6-hydroxy5-methoxy-, 5,6-dihydroxy-, and 4,6-dihydroxyduloxetine were synthesized, and their phase II metabolite as glucuronide or sulfate conjugates were also synthesized. Their in vitro binding activities were compared to that of parent compound duloxetine. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.066
• 作为产物：
  描述：

  1,7-二羟基萘 在 氢氧化钾 、 硝酸 作用下， 以 水 、 苯 为溶剂， 反应 10.0h， 生成 1,7-二甲氧基-4-硝基萘
  参考文献：
  名称：

  Ferlin, Maria Grazia; Chiarelotto, Gianfranco; Malesani, Giorgio, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 245 - 249

  摘要：

  DOI：

文献信息

• Ferlin, Maria Grazia; Chiarelotto, Gianfranco; Malesani, Giorgio, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 245 - 249
  作者：Ferlin, Maria Grazia、Chiarelotto, Gianfranco、Malesani, Giorgio

  DOI：——

  日期：——
• GRAZIA, FERLIN MARIA;CHIARELOTTO, GIANFRANCO;MALESANI, GIORGIO, J. HETEROCYCL. CHEM., 26,(1989) N, C. 245-249
  作者：GRAZIA, FERLIN MARIA、CHIARELOTTO, GIANFRANCO、MALESANI, GIORGIO

  DOI：——

  日期：——
• Oxidative Dimerization of 4-Methoxynaphthylamines in the Presence of Semiconductors
  作者：Osamu Tamura、Tetsuya Takeya、Yosuke Takahashi、Iwao Okamoto

  DOI：10.3987/com-09-s(s)107

  日期：——

  Three types of 4-methoxynaphthylamines 4a-c were oxidized by treatment with metal oxides under molecular oxygen (02). 4-Methoxy-1-naphthylamine 4a and 4,6-dimethoxy-1-naphthylamine 4b, on treatment with TiO(2) under O(2), gave mainly 2-amino-1,4-naphthoquinone derivatives 5a and 5b, respectively whereas 4,8-dimethoxy-1-naphthylamine 4c afforded an unique carbazole 6c as the major product.
• Synthesis and biological activity of some known and putative duloxetine metabolites
  作者：F. Kuo、T.A. Gillespie、P. Kulanthaivel、R.J. Lantz、T.W. Ma、D.L. Nelson、P.G. Threlkeld、W.J. Wheeler、P. Yi、M. Zmijewski

  DOI：10.1016/j.bmcl.2004.04.066

  日期：2004.7

  Several putative phase I duloxetine metabolites, 4-hydroxy-, 5-hydroxy-, 6-hydroxy-, 5-hydroxy-6-methoxy-, 6-hydroxy5-methoxy-, 5,6-dihydroxy-, and 4,6-dihydroxyduloxetine were synthesized, and their phase II metabolite as glucuronide or sulfate conjugates were also synthesized. Their in vitro binding activities were compared to that of parent compound duloxetine. (C) 2004 Elsevier Ltd. All rights reserved.

表征谱图