1-methyl-3-(3-nitrophenyl)-1-phenylurea | 107921-11-9

• 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: 1-methyl-3-(3-nitrophenyl)-1-phenylurea
• 英文别名: N-methyl-N'-(3-nitro-phenyl)-N-phenyl-urea；N-Methyl-N'-(3-nitro-phenyl)-N-phenyl-harnstoff；Urea, 1-methyl-3-(3-nitrophenyl)-1-phenyl-
• CAS: 107921-11-9
• 化学式: C₁₄H₁₃N₃O₃
• 分子量: 271.276
• InChiKey: FJHNMGFQAUGWCD-UHFFFAOYSA-N

物化性质

• 沸点：
  472.8±37.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-(3-nitrophenyl)-1-phenylurea 在 palladium 10% on activated carbon 、 氢气 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 mineral oil 为溶剂， 反应 24.25h， 生成 N-[3-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]pyridine-4-carboxamide
  参考文献：
  名称：

  Functional foldamers that target bacterial membranes: The effect of charge, amphiphilicity and conformation

  摘要：

  By varying the molecular charge, shape and amphiphilicity of a series of conformationally distinct diary-lureas it is possible to control the levels of phospholipid membrane lysis using membranes composed of bacterial lipid extracts. From the data obtained, it appears as though the lysis activity observed is not due to charge, conformation or amphiphilicity in isolation, but that surface aggregation, H-bonding and other factors may also play a part. The work provides evidence that this class of foldamer possesses potential for optimisation into new antibacterial agents. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.07.017
• 作为产物：
  描述：

  3-硝基苯甲酰基叠氮化物 、 N-甲基苯胺 在 苯 作用下， 生成 1-methyl-3-(3-nitrophenyl)-1-phenylurea
  参考文献：
  名称：

  Sah, Journal of the Chinese Chemical Society (Peking), 1946, vol. 13, p. 22,26,27

  摘要：

  DOI：

文献信息

• Sah, Journal of the Chinese Chemical Society (Peking), 1946, vol. 13, p. 22,26,27
  作者：Sah

  DOI：——

  日期：——
• Functional foldamers that target bacterial membranes: The effect of charge, amphiphilicity and conformation
  作者：Yogita Patil-Sen、Sarah R. Dennison、Timothy J. Snape

  DOI：10.1016/j.bmc.2016.07.017

  日期：2016.9

  By varying the molecular charge, shape and amphiphilicity of a series of conformationally distinct diary-lureas it is possible to control the levels of phospholipid membrane lysis using membranes composed of bacterial lipid extracts. From the data obtained, it appears as though the lysis activity observed is not due to charge, conformation or amphiphilicity in isolation, but that surface aggregation, H-bonding and other factors may also play a part. The work provides evidence that this class of foldamer possesses potential for optimisation into new antibacterial agents. (C) 2016 Elsevier Ltd. All rights reserved.
• Karrman, Svensk Kemisk Tidskrift, 1948, vol. 60, p. 61
  作者：Karrman

  DOI：——

  日期：——