1-二苯甲基-3-苯基-脲 | 137636-01-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-二苯甲基-3-苯基-脲
• 英文名称: 1-benzhydryl-3-phenyl-urea
• 英文别名: N-benzhydryl-N'-phenyl-urea；N-Benzhydryl-N'-phenyl-harnstoff；1-Benzhydryl-3-phenyl-harnstoff；1-(Diphenylmethyl)-3-phenylurea；1-benzhydryl-3-phenylurea
• CAS: 137636-01-2
• 化学式: C₂₀H₁₈N₂O
• 分子量: 302.376
• InChiKey: FFSMGGLZCZRZHB-UHFFFAOYSA-N

物化性质

• 熔点：
  220-222 °C
• 沸点：
  460.9±45.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-二苯甲基-3-苯基-脲 、 N-(氯甲酰)异氰酸酯 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  1,2,4-Oxadiazolidin-3,5-diones and 1,3,5-triazin-2,4,6-triones as cytosolic phospholipase A2α inhibitors

  摘要：

  1,2,4-Oxadiazolidiin-3,5-dione and 1,3,5-triazin-2,4,6-trione scaffolds were employed as templates to incorporate the pharmacophore requirements of cytosolic phospholipase A(2)alpha Substrate mimetics. Inhibitors that are active in both enzyme, and cell-based assays were identified from both classes. From the SAR work carried out and modeling efforts around these templates, the triazinetrione scaffold with an additional substitution point was found to be more favorable. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.067
• 作为产物：
  描述：

  2,2-diphenylethanoyl azide 在 苯 作用下， 生成 1-二苯甲基-3-苯基-脲
  参考文献：
  名称：

  Reaktionen des 5,5-Diphenyl-4-hydroxy-1,2,3-triazols

  摘要：

  DOI：

  10.1007/bf00900985

文献信息

• 1-Benzhydryl-3-phenylurea and 1-Benzhydryl-3-phenylthiourea Derivatives:  New Templates among the CB₁ Cannabinoid Receptor Inverse Agonists
  作者：Giulio G. Muccioli、Johan Wouters、Gerhard K. E. Scriba、Wolfgang Poppitz、Jacques H. Poupaert、Didier M. Lambert

  DOI：10.1021/jm0503906

  日期：2005.11.1

  New 1-benzhydryl-3-phenylurea derivatives and their 1-benzhydryl-3-phenylthiourea isosteres were synthesized and evaluated for their human CB1 and CB2 cannabinoid receptor affinity. These compounds proved to be selective CB1 cannabinoid receptor ligands, acting as inverse agonists in a [35S]-GTPgammaS assay. The affinity of 3,5,5'-triphenylimidazolidine-2,4-dione and 3,5,5'-triphenyl-2-thioxoimidazolidin-4-one

  合成了新的1-苯甲酰基-3-苯基脲脲衍生物和它们的1-苯甲酰基-3-苯基硫脲异构体，并评估了它们对人CB1和CB2大麻素受体的亲和力。这些化合物被证明是选择性的CB1大麻素受体配体，在[35S] -GTPgammaS分析中起反向激动剂的作用。3，5，5′-三苯基咪唑烷-2，4-二酮与3，5，5′-三苯基-2-硫代氧杂咪唑烷-4-酮衍生物具有1-苯甲酰基-3-苯基脲和1-苯甲酰基-还分别评估了3-苯基硫脲部分。总之，1-苯甲酰基-3-苯基脲支架似乎是CB1大麻素受体反向激动剂的一个新的有趣模板。
• The Ammono Ketone-Alcohols. I. Benzophenoneimine
  作者：G. E. P. Smith、F. W. Bergstrom

  DOI：10.1021/ja01325a028

  日期：1934.10
• Oliveri-Mandala; Calderaro, Gazzetta Chimica Italiana, 1913, vol. 43 I, p. 540
  作者：Oliveri-Mandala、Calderaro

  DOI：——

  日期：——
• Versatile Access to Benzhydryl-Phenylureas through an Unexpected Rearrangement during Microwave-Enhanced Synthesis of Hydantoins
  作者：Giulio G. Muccioli、Johan Wouters、Jacques H. Poupaert、Bernadette Norberg、Wolfgang Poppitz、Gerhard K. E. Scriba、Didier M. Lambert

  DOI：10.1021/ol035282x

  日期：2003.10.1

  A new access to benzhydryl-phenylureas is described. These new interesting urea derivatives were obtained by reaction of substituted benzils with substituted phenylureas under microwave irradiation. Phenylthiourea, when reacted with benzil, gave 3-phenyl-thiohydantoin. Moreover, benzylurea, as phenethylurea, gave the corresponding 3-substituted hydantoin derivatives, demonstrating that only phenylurea derivatives can result in benzhydryl-phenylureas under the applied conditions. This new reaction proved to be an easy access to substituted 1-benzhydryl-3-phenyl-ureas.
• Ghosh, Journal of the Indian Chemical Society, 1948, vol. 25, p. 515
  作者：Ghosh

  DOI：——

  日期：——