N-methyl-1-(2-nitrophenyl)methanamine hydrochloride | 5441-60-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-methyl-1-(2-nitrophenyl)methanamine hydrochloride
• 英文别名: methyl-(2-nitro-benzyl)-amine; hydrochloride；N-methyl-1-(2-nitrophenyl)methanamine;hydrochloride
• CAS: 5441-60-1
• 化学式: C₈H₁₀N₂O₂*ClH
• mdl: MFCD09971668
• 分子量: 202.641
• InChiKey: NCDRLRZMVFXZPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  57.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-1-(2-nitrophenyl)methanamine hydrochloride 在 双(三甲基硅烷基)氨基钾 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 4.33h， 生成 (S)-2-Benzyl-4-oxo-azetidine-1-carboxylic acid methyl-(2-nitro-benzyl)-amide
  参考文献：
  名称：

  β-Lactam Derivatives as Inhibitors of Human Cytomegalovirus Protease

  摘要：

  The development of novel monobactam inhibitors of HCMV protease incorporating a carbon side chain at C-4 and a urea function at N-1 is described. Substitution with small groups at the C-3 position of the beta-lactam ring gave an increase in enzymatic activity and in stability; however, a lack of selectivity against other serine proteases was noted. The use of both tri- and tetrasubstituted urea functionalities gave effective inhibitors of HCMV protease. Benzyl substitution of the urea moiety was beneficial, especially when strong electron-withdrawing groups where attached at the para position. Modest antiviral activity was found in a plaque reduction assay.

  DOI：

  10.1021/jm980131z
• 作为产物：
  描述：

  N-(2-硝基苯亚甲基)甲胺 在 盐酸 、 sodium tetrahydroborate 作用下， 生成 N-methyl-1-(2-nitrophenyl)methanamine hydrochloride
  参考文献：
  名称：

  Zara-Kaczian, Erzsebet; Deak, Gyula; Gyoergy, Lajos, Acta Chimica Hungarica, 1989, vol. 126, # 4, p. 441 - 454

  摘要：

  DOI：

文献信息

• Microwave-Assisted Synthesis of KN-93, a Potent and Selective Inhibitor of Ca²+/Calmoduline-Dependent Protein Kinase II
  作者：Carlo Franchini、Claudio Bruno、Giovanni Lentini、Alessia Catalano、Alessia Carocci、Angelo Lovece、Antonia Di Mola、Maria Cavalluzzi、Paolo Tortorella、Fulvio Loiodice、Guido Iaccarino、Pietro Campiglia、Ettore Novellino

  DOI：10.1055/s-0030-1258298

  日期：2010.12

  Convenient synthetic routes to KN-93, N-(2-[[(2E)-3-(4-chlorophenyl)prop-2-enyl](methyl)amino]methyl}phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide, a well-known Ca²+/calmoduline-dependent protein kinase II (CaMKII) inhibitor, are described. The methods proposed start from easily available reagents­ and allow ready preparation of the final compound in moderate­ overall yields. Most of the

  合成KN-93的简便方法，N-（2-[[[（（2 E）-3-（4-氯苯基）丙-2-烯基]（甲基）氨基]甲基}苯基）-N-（2-羟乙基描述了一种众所周知的Ca 2+ /钙调蛋白依赖性蛋白激酶II（CaMKII）抑制剂）-4-甲氧基苯磺酰胺。提出的方法从容易获得的试剂开始，并允许以中等的总收率准备最终化合物。建议的大多数合成步骤都是微波辅助的。 Heck反应-磺酰胺类-酶-多组分反应-药物化学
• Golec, Frederick A.; Reilly, Laurence W., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 789 - 790
  作者：Golec, Frederick A.、Reilly, Laurence W.

  DOI：——

  日期：——
• GOLEC, FREDERICK A. (JR);REILLY, LAURENCE W. (JR), J. HETEROCYCL. CHEM., 25,(1988) N 3, C. 789-790
  作者：GOLEC, FREDERICK A. (JR)、REILLY, LAURENCE W. (JR)

  DOI：——

  日期：——
• β-Lactam Derivatives as Inhibitors of Human Cytomegalovirus Protease
  作者：Christiane Yoakim、William W. Ogilvie、Dale R. Cameron、Catherine Chabot、Ingrid Guse、Bruno Haché、Julie Naud、Jeff A. O'Meara、Raymond Plante、Robert Déziel

  DOI：10.1021/jm980131z

  日期：1998.7.1

  The development of novel monobactam inhibitors of HCMV protease incorporating a carbon side chain at C-4 and a urea function at N-1 is described. Substitution with small groups at the C-3 position of the beta-lactam ring gave an increase in enzymatic activity and in stability; however, a lack of selectivity against other serine proteases was noted. The use of both tri- and tetrasubstituted urea functionalities gave effective inhibitors of HCMV protease. Benzyl substitution of the urea moiety was beneficial, especially when strong electron-withdrawing groups where attached at the para position. Modest antiviral activity was found in a plaque reduction assay.
• Zara-Kaczian, Erzsebet; Deak, Gyula; Gyoergy, Lajos, Acta Chimica Hungarica, 1989, vol. 126, # 4, p. 441 - 454
  作者：Zara-Kaczian, Erzsebet、Deak, Gyula、Gyoergy, Lajos

  DOI：——

  日期：——