N,N'-二乙基-2-硝基-1,3-苯二胺 | 908590-74-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N,N'-二乙基-2-硝基-1,3-苯二胺
• 英文名称: N,N'-diethyl-2-nitrobenzene-1,3-diamine
• 英文别名: 1,3-bis(ethylamino)-2-nitrobenzene；N,N'-diethyl-2-nitro-benzene-1,3-diamine；1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
• CAS: 908590-74-9
• 化学式: C₁₀H₁₅N₃O₂
• 分子量: 209.248
• InChiKey: HWLIJCPKRLCVPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  69.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-二乙基-2-硝基-1,3-苯二胺 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 24.0h， 以10%的产率得到4-ethylamino-2-methyl-1H-benzimidazole
  参考文献：
  名称：

  2,4 和 2,6-N-烷基氨基二取代和 2-N-烷基氨基取代硝基苯在弱碱性溶液中的热不稳定性：仲氨基效应

  摘要：

  我们在此报道了在无水碳酸钾存在下，通过两当量的一元胺与 2,4 或 2,6-二氟硝基苯在N , N-二甲基乙酰胺中反应制备了两类仲胺，作为生物学上重要的硝酸的前体。提供N-亚硝胺的氧化物。在这两种情况下，当反应温度保持在 130°C 以下时，这些化合物都可以定量产率制备。高于该反应温度，硝基和新形成的相邻仲胺基团之间发生意想不到的环化反应，导致低产率形成苯并咪唑或喹喔啉环。提出了环化反应的合理反应机理。

  DOI：

  10.1002/jhet.2154
• 作为产物：
  描述：

  1'-[(1R)-3-(tert-butoxycarbonyl-methylamino)-1-phenylpropyl] spiro [cyclohexane-1,3'-indol]-2'(1'H)-one 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 生成 N,N'-二乙基-2-硝基-1,3-苯二胺
  参考文献：
  名称：

  Conjugates for cancer therapy and diagnosis

  摘要：

  本发明涉及药物与氨基酸或氨基酸衍生物或类似物的结合物、包括该结合物的药物组合物以及使用方法。具体来说，本发明涉及抗增殖药物与天冬氨酸、谷氨酸及其类似物的结合物作为治疗癌症的组合物，以及影像剂载体与氨基酸的结合物用于肿瘤和转移瘤的诊断。

  公开号：

  US20070072800A1

文献信息

• Substituted propylamine derivatives and methods of their use
  申请人：McComas Cameron Casey

  公开号：US20070072928A1

  公开（公告）日：2007-03-29

  The present invention is directed to substituted propylamine derivatives of formula I: or a pharmaceutically acceptable salt thereof, compositions containing these derivatives, and methods of their use for the prevention and treatment of conditions ameliorated by monoamine reuptake including, inter alia, vasomotor symptoms (VMS), sexual dysfunction, gastrointestinal and genitourinary disorders, chronic fatigue syndrome, fibromylagia syndrome, nervous system disorders, and combinations thereof, particularly those conditions selected from the group consisting of major depressive disorder, vasomotor symptoms, stress and urge urinary incontinence, fibromyalgia, pain, diabetic neuropathy, and combinations thereof.

  本发明涉及具有以下结构的取代丙基胺衍生物：或其药学上可接受的盐，含有这些衍生物的组合物，以及它们用于预防和治疗由单胺再摄取改善的病况的方法，包括但不限于血管运动症状（VMS）、性功能障碍、胃肠和泌尿系统紊乱、慢性疲劳综合征、纤维肌痛综合征、神经系统紊乱，以及由此组合而成的病况，特别是从包括重度抑郁症、血管运动症状、压力和急迫性尿失禁、纤维肌痛综合征、疼痛、糖尿病神经病变等病况中选择的那些病况。
• Medicaments
  申请人：Alberti John Michael

  公开号：US20050153978A1

  公开（公告）日：2005-07-14

  A method of treating an Msk-1 and/or ROCK(1 and 2) mediated disease or condition in a mammal comprising administration of an effective amount of a compounds of the formula (I) and physiologically acceptable salts thereof wherein, R 1 is a 5, or 6 membered heterocyclic group selected from group a, b, c or d wherein X 1 is a group selected from N or CR 7 and X 2 is a group selected from O, S or NR 8 ; X 3 and X 4 which may be the same or different is a group selected from N or CR 7 ; X 5 is a group selected from O, S or NR 8 and X 6 is N or CR 7 ; X 7 , X 8 and X 9 may be the same or different and selected from a group N or CR 7 , pharmaceutical compositions, novel compounds and processes for their preparation.

  一种治疗哺乳动物中MSK-1和/或ROCK（1和2）介导的疾病或病况的方法，包括给予化合物(I)及其生理上可接受的盐的有效量，其中，R1是从a、b、c或d组中选择的5个或6个成员的杂环基团，其中X1是选择自N或CR7的基团，X2是选择自O、S或NR8的基团；X3和X4可以相同或不同，是选择自N或CR7的基团；X5是选择自O、S或NR8的基团，X6是N或CR7；X7、X8和X9可以相同或不同，选择自N或CR7的基团；制备这些新化合物的药物组合物和方法。
• Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5
  申请人：Tucker Howard

  公开号：US20080021038A1

  公开（公告）日：2008-01-24

  Compounds of formula (I) wherein neither R 4 nor R 5 is hydrogen; compositions comprising them, processes for preparing them and their use in medical therapy (for example modulating CCR5 receptor activity in a warm blooded animal).

  公式(I)的化合物，其中R4和R5均不是氢；包含它们的组合物，制备它们的过程以及它们在医疗治疗中的应用（例如在温血动物中调节CCR5受体活性）。
• 1,3-Bis(ethylamino)-2-nitrobenzene, 1,3-bis(<i>n</i>-octylamino)-2-nitrobenzene and 4-ethylamino-2-methyl-1<i>H</i>-benzimidazole
  作者：Christopher P. Walczak、Matthew M. Yonkey、Philip J. Squattrito、Dillip K. Mohanty、Kristin Kirschbaum

  DOI：10.1107/s0108270108008275

  日期：2008.5.15

  1,3-Bis(ethylamino)-2-nitrobenzene, C10H15N3O2, (I), and 1,3bis(n-octylamino)-2-nitrobenzene, C22H39N3O2, (II), are the first structurally characterized 1,3-bis(n-alkylamino)-2-nitrobenzenes. Both molecules are bisected though the nitro N atom and the 2-C and 5-C atoms of the ring by twofold rotation axes. Both display intramolecular N-H center dot center dot center dot O hydrogen bonds between the amine and nitro groups, but no intermolecular hydrogen bonding. The nearly planar molecules pack into flat layers ca 3.4 angstrom apart that interact by hydrophobic interactions involving the n-alkyl groups rather than by pi-pi interactions between the rings. The intra- and intermolecular interactions in these molecules are of interest in understanding the physical properties of polymers made from them. Upon heating in the presence of anhydrous potassium carbonate in dimethylacetamide, (I) and (II) cyclize with formal loss of hydrogen peroxide to form substituted benzimidazoles. Thus, 4-ethylamino-2-methyl-1H-benzimidazole, C10H13N3, (III), was obtained from (I) under these reaction conditions. Compound (III) contains two independent molecules with no imposed internal symmetry. The molecules are linked into chains via N-H center dot center dot center dot N hydrogen bonds involving the imidazole rings, while the ethylamino groups do not participate in any hydrogen bonding. This is the first reported structure of a benzimidazole derivative with 4-amino and 2-alkyl substituents.
• BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1487441A2

  公开（公告）日：2004-12-22