4-ethyl-N-(propyl-2-yn-1-yl)benzamide | 1212008-83-7

• 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: 4-ethyl-N-(propyl-2-yn-1-yl)benzamide
• 英文别名: 4-ethyl-N-(prop-2-yn-1-yl)benzamide；4-Ethyl-N-(2-propynyl)benzamide；4-ethyl-N-prop-2-ynylbenzamide
• CAS: 1212008-83-7
• 化学式: C₁₂H₁₃NO
• mdl: MFCD14631339
• 分子量: 187.241
• InChiKey: XYTGTAJVJDAJAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-ethyl-N-(propyl-2-yn-1-yl)benzamide 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(4-Ethylphenyl)-5-methyl-1,3-oxazole
  参考文献：
  名称：

  Synthesis of Acridones via Ir(III)-Catalyzed Amination Annulation of Oxazoles with Anthranils

  摘要：

  An unprecedented Ir(III)-catalyzed C-H activation/amination/annulation of 2-phenyloxazoles with anthranils for the highly selective preparation of acridone derivatives in one-pot under controlled conditions is reported. This protocol is characterized by atom...

  DOI：

  10.1039/d4ob00377b
• 作为产物：
  描述：

  对乙基苯甲酸 在 4-二甲氨基吡啶 、 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-ethyl-N-(propyl-2-yn-1-yl)benzamide
  参考文献：
  名称：

  Synthesis of Acridones via Ir(III)-Catalyzed Amination Annulation of Oxazoles with Anthranils

  摘要：

  An unprecedented Ir(III)-catalyzed C-H activation/amination/annulation of 2-phenyloxazoles with anthranils for the highly selective preparation of acridone derivatives in one-pot under controlled conditions is reported. This protocol is characterized by atom...

  DOI：

  10.1039/d4ob00377b

文献信息

• Discovery of novel antitubercular 2,10-dihydro-4aH-chromeno[3,2-c]pyridin-3-yl derivatives
  作者：Dharmarajan Sriram、Perumal Yogeeswari、Murugesan Dinakaran、Debjani Banerjee、Pritesh Bhat、Sunil Gadhwal

  DOI：10.1016/j.ejmech.2009.09.033

  日期：2010.1

  Twenty two novel 2,10-dihydro-4aH-chromeno[3,2-c]pyridin-3-yl derivatives were synthesized by reacting 3-formyl chromone, (sub)-2-amino pyridines, N1-(prop-2-ynyl)arylamides in the presence of indium triflate. The compounds were evaluated their preliminary in-vitro and in-vivo activity against Mycobacterium tuberculosis H37Rv (MTB) and multi-drug resistant M. tuberculosis (MDR-TB). Among them N-[(4aS)-2-(3-methyl-2-pyridinyl)-10-oxo-2,10-dihydro-4aH-chromeno[3,2-c]pyridin-3-yl]methyl-4-ethylbenzenecarboxamide 4d was found to be the most active compound in-vitro with MIC's of 0.22 and 0.07 mu g/mL against MTB and MDR-TB respectively. In the in-vivo animal model 4d decreased the bacterial load in lung and spleen tissues with 1.11 and 2.94-log10 protections respectively at 25 mg/kg body weight close. (C) 2009 Published by Elsevier Masson SAS.
• Synthesis of Acridones via Ir(III)-Catalyzed Amination Annulation of Oxazoles with Anthranils
  作者：Lin Dong、Han-Yi Zhou

  DOI：10.1039/d4ob00377b

  日期：——

  An unprecedented Ir(III)-catalyzed C-H activation/amination/annulation of 2-phenyloxazoles with anthranils for the highly selective preparation of acridone derivatives in one-pot under controlled conditions is reported. This protocol is characterized by atom...