4,7-dimethyl-[1]naphthylamine | 116530-21-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4,7-dimethyl-[1]naphthylamine
• 英文别名: 4,7-Dimethyl-[1]naphthylamin；4,7-Dimethyl-naphthalen-1-ylamine；4,7-dimethylnaphthalen-1-amine
• CAS: 116530-21-3
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: CYEVFXOJJIMJGD-UHFFFAOYSA-N

物化性质

• 熔点：
  177 °C
• 沸点：
  184-185 °C(Press: 15 Torr)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,7-dimethyl-[1]naphthylamine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 N-(2-Chloro-4-sulfamoyl-phenyl)-2-[4-(4,7-dimethyl-naphthalen-1-yl)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
  参考文献：
  名称：

  Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase

  摘要：

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.06.048
• 作为产物：
  描述：

  Naphthalene, 1,6-dimethyl-4-nitro- 在 镍 氢气 、 crude mixture 、 正己烷 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以to give (434 mg 52% yield) of the pure desired amine的产率得到4,7-dimethyl-[1]naphthylamine
  参考文献：
  名称：

  Non-nucleoside reverse transcriptase inhibitors

  摘要：

  各种羰基酰胺在体外和体内被用作非核苷类逆转录酶抑制剂，特别是HIV逆转录酶的抑制剂。因此，考虑到的化合物可用于治疗HIV感染的患者。进一步考虑的方面包括含有考虑到的化合物的治疗有效量的药物组合物。

  公开号：

  US20060135556A1

文献信息

• Non-nucleoside reverse transcriptase inhibitors
  申请人：Girardet Jean-Luc

  公开号：US20060135556A1

  公开（公告）日：2006-06-22

  Various carbonyl amides are employed in vitro and in vivo as non-nucleoside inhibitors of a reverse transcriptase, and particularly of HIV reverse transcriptase. Therefore, contemplated compounds may be employed in the treatment of HIV infected patients. Further contemplated aspects include pharmaceutical compositions comprising therapeutically effective amounts of contemplated compounds.

  各种羰基酰胺在体外和体内被用作非核苷类逆转录酶抑制剂，特别是HIV逆转录酶的抑制剂。因此，考虑到的化合物可用于治疗HIV感染的患者。进一步考虑的方面包括含有考虑到的化合物的治疗有效量的药物组合物。
• Buu-Hoi et al., Journal of the Chemical Society, 1953, p. 3584,3586
  作者：Buu-Hoi et al.

  DOI：——

  日期：——
• EP1545483A4
  申请人：——

  公开号：EP1545483A4

  公开（公告）日：2009-03-25
• [EN] NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS<br/>[FR] INHIBITEURS NON NUCLEOSIDIQUES DE TRANSCRIPTASES INVERSES
  申请人：RIBAPHARM INC

  公开号：WO2004030611A2

  公开（公告）日：2004-04-15

  Various carbonyl amides are employed in vitro and in vivo as non-nucleoside inhibitors of a reverse transcriptase, and particularly of HIV reverse transcriptase. Therefore, contemplated compounds may be employed in the treatment of HIV infected patients. Further contemplated aspects include pharmaceutical compositions comprising therapeutically effective amounts of contemplated compounds.
• Tri-substituted triazoles as potent non-nucleoside inhibitors of the HIV-1 reverse transcriptase
  作者：Martha De La Rosa、Hong Woo Kim、Esmir Gunic、Cheryl Jenket、Uyen Boyle、Yung-hyo Koh、Ilia Korboukh、Matthew Allan、Weijian Zhang、Huanming Chen、Wen Xu、Shahul Nilar、Nanhua Yao、Robert Hamatake、Stanley A. Lang、Zhi Hong、Zhijun Zhang、Jean-Luc Girardet

  DOI：10.1016/j.bmcl.2006.06.048

  日期：2006.9

  A new series of 1,2,4-triazoles was synthesized and tested against several NNRTI-resistant HIV-1 isolates. Several of these compounds exhibited potent antiviral activities against efavirenz- and nevirapine-resistant viruses, containing K103N and/or Y181C mutations or Y188L mutation. Triazoles were first synthesized from commercially available substituted phenylthio-semicarbazides, then from isothiocyanates, and later by condensing the desired substituted anilines with thiosemicarbazones. (c) 2006 Elsevier Ltd. All rights reserved.