2,8-dimethylnaphthalen-1-amine | 910116-04-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,8-dimethylnaphthalen-1-amine
• 英文别名: 2,8-Dimethylnaphthalen-1-amine
• CAS: 910116-04-0
• 化学式: C₁₂H₁₃N
• 分子量: 171.242
• InChiKey: PAEACNWRERSBKU-UHFFFAOYSA-N

物化性质

• 熔点：
  47-48 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  326.6±11.0 °C(Predicted)
• 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：

  2,8-dimethylnaphthalen-1-amine 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-Bromo-phenyl)-2-[4-(2,8-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：

  2,8-dimethyl-1-nitronaphthalene 在 盐酸 、 铁粉 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 以91%的产率得到2,8-dimethylnaphthalen-1-amine
  参考文献：
  名称：

  Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro, Journal of the American Chemical Society, 2009, vol. 131, p. 54 - 55

  摘要：

  DOI：

文献信息

• CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES
  申请人：Waters Technologies Corporation

  公开号：EP3113857A1

  公开（公告）日：2017-01-11
• [EN] CHROMOTOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES<br/>[FR] MATÉRIAUX CHROMATOGRAPHIQUES POUR LA SÉPARATION DE MOLÉCULES INSATURÉES
  申请人：WATERS TECHNOLOGIES CORP

  公开号：WO2015134317A1

  公开（公告）日：2015-09-11

  The present disclosure relates to a method of separating a compound of interest, particularly unsaturated compound(s) of interest, from a mixture. The compound is separated using a column having a chromatographic stationary phase material for various different modes of chromatography containing a first substituent and a second substituent. The first substituent minimizes compound retention variation over time under chromatographic conditions. The second substituent chromatographically and selectively retains the compound by incorporating one or more aromatic, polyaromatic, heterocyclic aromatic, or polyheterocyclic aromatic hydrocarbon groups, each group being optionally substituted with an aliphatic group.
• [EN] CHROMATOGRAPHIC MATERIALS FOR THE SEPARATION OF UNSATURATED MOLECULES<br/>[FR] MATÉRIAUX CHROMATOGRAPHIQUES POUR LA SÉPARATION DE MOLÉCULES INSATURÉES
  申请人：WATERS TECHNOLOGIES CORP

  公开号：WO2015134317A9

  公开（公告）日：2016-08-04

  [EN] The present disclosure relates to a method of separating a compound of interest, particularly unsaturated compound(s) of interest, from a mixture. The compound is separated using a column having a chromatographic stationary phase material for various different modes of chromatography containing a first substituent and a second substituent. The first substituent minimizes compound retention variation over time under chromatographic conditions. The second substituent chromatographically and selectively retains the compound by incorporating one or more aromatic, polyaromatic, heterocyclic aromatic, or polyheterocyclic aromatic hydrocarbon groups, each group being optionally substituted with an aliphatic group.
  [FR] La présente invention concerne un procédé de séparation d'un composé d'intérêt, en particulier un ou plusieurs composés insaturés d'intérêt, à partir d'un mélange. Le composé est séparé à l'aide d'une colonne ayant un matériau de phase stationnaire de chromatographie adapté à divers modes différents de chromatographie contenant un premier substituant et un second substituant. Le premier substituant réduit à un minimum la variation de rétention du composé au cours du temps dans des conditions chromatographiques. Le second substituant retient de façon chromatographique et sélectivement le composé par incorporation d'un ou de plusieurs groupes aromatiques, polyaromatiques, hétérocycles aromatiques ou hydrocarbures aromatiques polyhétérocycliques, chaque groupe étant éventuellement substitué par un groupe aliphatique.
• Kawabata, Takeo; Jiang, Changsheng; Hayashi, Kazuhiro, Journal of the American Chemical Society, 2009, vol. 131, p. 54 - 55
  作者：Kawabata, Takeo、Jiang, Changsheng、Hayashi, Kazuhiro、Tsubaki, Kazunori、Yoshimura, Tomoyuki、et al.

  DOI：——

  日期：——
• 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.