1-[(9R,12Z)-9-hydroxyoctadec-12-enoyl]-1,3-dicyclohexylurea | 1293967-66-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-[(9R,12Z)-9-hydroxyoctadec-12-enoyl]-1,3-dicyclohexylurea
• 英文别名: (Z,9R)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-9-hydroxyoctadec-12-enamide
• CAS: 1293967-66-4
• 化学式: C₃₁H₅₆N₂O₃
• 分子量: 504.797
• InChiKey: BWMRKPVBVUDNAJ-RTGDAMSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  36
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (9R,12Z )-9-hydroxyoctadec-12-enoic acid 、 2-氨基苯酚 、 N,N'-二环己基碳二亚胺 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以46%的产率得到(Z,9R)-9-hydroxy-N-(2-hydroxyphenyl)octadec-12-enamide
  参考文献：
  名称：

  A facile, one-pot synthesis, characterization and antimicrobial activity of o-hydroxy anilide derivatives and 1-substituted-1,3-dicyclohexylurea analogs of long chain carboxylic acids

  摘要：

  A series of novel o-hydroxy anilide derivatives and 1-substituted-1,3-dicyclohexylurea analogs of long chain carboxylic acids have been synthesized. The structures of the synthesized compounds were elucidated by IR, H-1 NMR, C-13 NMR and mass spectral data. All the synthesized compounds were tested for their antimicrobial activity by disk diffusion assay with slight modifications against Gram-positive, Gram-negative strains of bacteria as well as fungal strains. After that mini mum inhibitory concentrations (MICs), minimum bactericidal concentrations (MBCs) and minimum fungicidal concentrations (MFCs) of all the synthesized compounds were determined. The investigation of antimicrobial screening data revealed that all the tested compounds showed moderate to good microbial inhibitions. Compounds 3e, 4e, 3f and 4f were found to be the most potent antimicrobial agents. (c) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.01.070

文献信息

• A facile, one-pot synthesis, characterization and antimicrobial activity of o-hydroxy anilide derivatives and 1-substituted-1,3-dicyclohexylurea analogs of long chain carboxylic acids
  作者：Nida N. Farshori、Anis Ahmad、Asad U. Khan、Abdul Rauf

  DOI：10.1016/j.ejmech.2011.01.070

  日期：2011.4

  A series of novel o-hydroxy anilide derivatives and 1-substituted-1,3-dicyclohexylurea analogs of long chain carboxylic acids have been synthesized. The structures of the synthesized compounds were elucidated by IR, H-1 NMR, C-13 NMR and mass spectral data. All the synthesized compounds were tested for their antimicrobial activity by disk diffusion assay with slight modifications against Gram-positive, Gram-negative strains of bacteria as well as fungal strains. After that mini mum inhibitory concentrations (MICs), minimum bactericidal concentrations (MBCs) and minimum fungicidal concentrations (MFCs) of all the synthesized compounds were determined. The investigation of antimicrobial screening data revealed that all the tested compounds showed moderate to good microbial inhibitions. Compounds 3e, 4e, 3f and 4f were found to be the most potent antimicrobial agents. (c) 2011 Elsevier Masson SAS. All rights reserved.