1-palmitoyl-1,3-dicyclohexylurea | 25108-12-7

• 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-palmitoyl-1,3-dicyclohexylurea
• 英文别名: N,N'-Dicyclohexyl-N-palmityl-harnstoff；1-(hexadecanoyl)-1,3-dicyclohexylurea；1,3-Dicyclohexyl-1-palmitoylurea；N-cyclohexyl-N-(cyclohexylcarbamoyl)hexadecanamide
• CAS: 25108-12-7
• 化学式: C₂₉H₅₄N₂O₂
• 分子量: 462.76
• InChiKey: ZXJHZVUNEDHKQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  33
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  棕榈酸 、 N,N'-二环己基碳二亚胺 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 氯仿 为溶剂， 以78.3%的产率得到1-palmitoyl-1,3-dicyclohexylurea
  参考文献：
  名称：

  Reaction of RF-palmitic acid-F13 with dicyclohexylcarbodiimide

  摘要：

  The 1,3-dicyclohexylcarbodiimide (DCC) adduct of R-F-palmitic acid-F-13 I has been synthesized and characterized. The X-ray crystal structure shows that the product arises from an O- to N-acyl migration of an initially formed N,N' -dicyclohexyl-O-R-F-palmitoyl-F-13-isourea 2 to give 1-R-F-palmitoyl-F-13-1,3-dicyclohexylurea 3. X-ray data for an R-F-palmitic acid-F-13 unit are reported for the first time. The product of the reaction of DCC with palmitic acid is also the urea derivative which has been characterized by IR and NMR methods. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.05.005

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.
• ELBERT, TOMAS, J. LABELL. COMPOUNDS AND RADIOPHARM., 27,(1989) N, C. 107-116
  作者：ELBERT, TOMAS

  DOI：——

  日期：——
• Reaction of RF-palmitic acid-F13 with dicyclohexylcarbodiimide
  作者：Gerald W. Buchanan、Majid F. Rastegar、Gary Enright

  DOI：10.1016/j.jfluchem.2007.05.005

  日期：2007.9

  The 1,3-dicyclohexylcarbodiimide (DCC) adduct of R-F-palmitic acid-F-13 I has been synthesized and characterized. The X-ray crystal structure shows that the product arises from an O- to N-acyl migration of an initially formed N,N' -dicyclohexyl-O-R-F-palmitoyl-F-13-isourea 2 to give 1-R-F-palmitoyl-F-13-1,3-dicyclohexylurea 3. X-ray data for an R-F-palmitic acid-F-13 unit are reported for the first time. The product of the reaction of DCC with palmitic acid is also the urea derivative which has been characterized by IR and NMR methods. (c) 2007 Elsevier B.V. All rights reserved.