1,7-dimethoxy-4-aminonaphthalene | 121726-81-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,7-dimethoxy-4-aminonaphthalene
• 英文别名: 4,6-dimethoxy-1-naphthylamine；1-amino-4,6-dimethoxynaphthalene；1-Naphthalenamine, 4,6-dimethoxy-；4,6-dimethoxynaphthalen-1-amine
• CAS: 121726-81-6
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: SOOHSUVRCJJTTN-UHFFFAOYSA-N

物化性质

• 沸点：
  379.0±27.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 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：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,7-dimethoxy-4-aminonaphthalene 在 tetrafluoroboric acid 、 4-甲基苯磺酸吡啶 、 三溴化硼 、 sodium nitrite 作用下， 生成
  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 palladium on activated charcoal 氢氧化钾 、 氢气 、 硝酸 作用下， 以 四氢呋喃 、 乙醇 、 苯 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

文献信息

• Synthesis of Eupomatidines 1, 2 and 3 and Related Compounds Including Iminoquinolinequinone Structure
  作者：Yoshiyasu Kitahara、Hajime Onikura、Yoshikazu Shibano、Satoshi Watanabe、Yuzuru Mikami、Akinori Kubo

  DOI：10.1016/s0040-4020(97)00293-7

  日期：1997.4

  Three aromatic alkaloids, eupomatidines 1 (1), 2 (2), and 3 (3), and two related compounds (27, 28) were synthesized from (6-methoxy-)1,4-naphthoquinone by hetero Diels-Alder reaction with (2-methoxy-)2-butenal dimethylhydrazone. © 1997 Elsevier Science Ltd.

  通过（6-甲氧基-）1,4-萘醌通过杂Diels-Alder反应合成了3种芳香生物碱，大黄mat碱1（1），2（2）和3（3）以及2种相关化合物（27、28）。 （2-甲氧基-）2-丁烯二甲基hydr。©1997爱思唯尔科学有限公司。
• 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：——
• 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.
• 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：——
• 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.