N-(2-chloroethyl)-3,4,5-trimethoxybenzamide | 15258-00-1

• 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-(2-chloroethyl)-3,4,5-trimethoxybenzamide
• 英文别名: N-<β-Chlor-aethyl>-3.4.5-trimethoxy-benzamid；N-(β-Chlor-aethyl)-3.4.5-trimethoxy-benzamid
• CAS: 15258-00-1
• 化学式: C₁₂H₁₆ClNO₄
• mdl: MFCD01743942
• 分子量: 273.716
• InChiKey: SVYIGKZLHBKTKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(2-chloroethyl)-3,4,5-trimethoxybenzamide 在 三溴化硼 、 potassium carbonate 、 N,N'-羰基二咪唑 、 potassium iodide 作用下， 以 二氯甲烷 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-(4-(2-(4-hydroxybenzyl)-5-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbonyl)piperazin-1-yl)ethyl)-3,4,5-trihydroxybenzamide
  参考文献：
  名称：

  Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors

  摘要：

  A series of novel beta-diketo derivatives which combined the virtues of dihydroxypyrimidine carboxamide derived from the evolution of DKA and polyhydroxylated aromatics moieties, were designed and synthesized as potential HIV-1 integrase (IN) inhibitors and evaluated their inhibition to the strand transfer process of HIV-1 integrase and anti-HIV-1 activity. The result indicates that 3,4,5-trihydroxylated aromatic derivatives exhibit good inhibition to HIV-1 integrase, but dihydroxylated aromatic derivatives appear little inhibition to HIV-1 integrase. In addition, the preliminary structure-activity relationship (SAR) of these new derivatives was rationalized by docking studies. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.059
• 作为产物：
  描述：

  3,4,5-三甲氧基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-chloroethyl)-3,4,5-trimethoxybenzamide
  参考文献：
  名称：

  Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors

  摘要：

  A series of novel beta-diketo derivatives which combined the virtues of dihydroxypyrimidine carboxamide derived from the evolution of DKA and polyhydroxylated aromatics moieties, were designed and synthesized as potential HIV-1 integrase (IN) inhibitors and evaluated their inhibition to the strand transfer process of HIV-1 integrase and anti-HIV-1 activity. The result indicates that 3,4,5-trihydroxylated aromatic derivatives exhibit good inhibition to HIV-1 integrase, but dihydroxylated aromatic derivatives appear little inhibition to HIV-1 integrase. In addition, the preliminary structure-activity relationship (SAR) of these new derivatives was rationalized by docking studies. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.12.059

文献信息

• Magnetic CuFe2O4 nanoparticles: a retrievable catalyst for oxidative amidation of aldehydes with amine hydrochloride salts
  作者：A. Suresh Kumar、B. Thulasiram、S. Bala Laxmi、Vikas S. Rawat、B. Sreedhar

  DOI：10.1016/j.tet.2014.01.051

  日期：2014.9

  for the oxidative amidation of aldehydes with amine hydrochloride salts is described. A wide range of amides have been synthesized in good to excellent yields under mild conditions. Chiral amide also synthesized from its corresponding chiral amine salt with retention of the stereochemistry. In particular, the performance of the magnetic separation of the catalyst was very efficient and an alternative

  描述了磁性CuFe 2 O 4纳米颗粒在醛与胺盐酸盐的氧化酰胺化中的应用。在温和的条件下，已经以良好的收率合成了各种酰胺。还从其相应的手性胺盐合成了手性酰胺，并且保留了立体化学。特别地，催化剂的磁分离性能非常有效，并且可以替代时间，溶剂和耗能的分离程序。连续五个周期后，催化剂的催化活性保持不变，由于其效率，易处理性和成本效益，使其在环境方面无害且可广泛应用。
• Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors
  作者：Yujie Wang、Jie Rong、Bin Zhang、Liming Hu、Xiaoli Wang、Chengchu Zeng

  DOI：10.1016/j.bmc.2014.12.059

  日期：2015.2

  A series of novel beta-diketo derivatives which combined the virtues of dihydroxypyrimidine carboxamide derived from the evolution of DKA and polyhydroxylated aromatics moieties, were designed and synthesized as potential HIV-1 integrase (IN) inhibitors and evaluated their inhibition to the strand transfer process of HIV-1 integrase and anti-HIV-1 activity. The result indicates that 3,4,5-trihydroxylated aromatic derivatives exhibit good inhibition to HIV-1 integrase, but dihydroxylated aromatic derivatives appear little inhibition to HIV-1 integrase. In addition, the preliminary structure-activity relationship (SAR) of these new derivatives was rationalized by docking studies. (c) 2014 Elsevier Ltd. All rights reserved.