1-Benzyl-3-[(3-benzylureido)phenylmethyl]urea

• 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-Benzyl-3-[(3-benzylureido)phenylmethyl]urea
• 英文别名: 1-Benzyl-3-[(benzylcarbamoylamino)-phenylmethyl]urea
• 化学式: C₂₃H₂₄N₄O₂
• 分子量: 388.469
• InChiKey: PWPLFZBTWVFATN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  82.3
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  苄脲 、 苯甲醛 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 3.0h， 以82%的产率得到1-Benzyl-3-[(3-benzylureido)phenylmethyl]urea
  参考文献：
  名称：

  Geminal Bis-ureas as Gelators for Organic Solvents: Gelation Properties and Structural Studies in Solution and in the Gel State

  摘要：

  Several geminal bis-urea compounds were synthesised by means of an acid-catalysed condensation of various benzaldehydes with different monoalkylureas. Many of these compounds form thermoreversible gels with a number of organic solvents at very low concentrations (< 3 mM) and which are stable to temperatures higher than 100 degrees C. Electron microscopy revealed a three-dimensional (3D) network of intertwined fibres, which are several tens of micrometers long and have a width ranging from approximately 30 to 300 nm. The possible aggregate forms and aggregate symmetries were evaluated by means of molecular mechanics calculations. H-1 NMR, 2D NMR, C-13 NMR and C-13-CP/MAS NMR techniques were used to obtain information about the aggregation and possible aggregate symmetry of geminal bis-ureas in solution, in the gel state, and in the solid state.

  DOI：

  10.1002/1521-3765(20000717)6:14<2633::aid-chem2633>3.0.co;2-l

文献信息

• Solution casting method and polymer film
  申请人：Sugiura Masaru

  公开号：US20050077648A1

  公开（公告）日：2005-04-14

  A solvent in which dichloromethane is mixed with alcohol as a poor solvent is used for preparing a dope. Alcohol is supplied to the dope in a inline pipe to mix with a static mixer, such as a casting dope in which a composition of alcohol is increased. The temperature of the rotary drum is adjusted to −7° C. The casting dope is fed from a casting die to the rotary drum so as to form a casting film whose thickness is 40 μm. Since the content of alcohol is high and a storage modulus of the cooled casting film is at least 150 thousands Pa, the peeling defect does not occur, and the stretch is reduced as far as possible. A gel-like film is dried by a tenter type drying device, and stretched such that the stretch ratio is at most 110%. The produced film is thin and excellent in a surface condition and optical isotropy.

  二氯甲烷与作为劣质溶剂的酒精混合的溶剂用于制备涂料。酒精通过内联管道供应到涂料中，与静态混合器混合，如增加酒精成分的铸造涂料。将浇注料从浇注模具送入旋转滚筒，以形成厚度为 40 μm 的浇注膜。由于酒精含量高，冷却后的浇注膜的储存模量至少为 15 万帕，因此不会出现剥离缺陷，拉伸也尽可能减小。凝胶状薄膜由拉幅机干燥，拉伸率不超过 110%。生产出的薄膜很薄，表面状态和光学各向同性都很好。
• US7459014B2
  申请人：——

  公开号：US7459014B2

  公开（公告）日：2008-12-02
• Geminal Bis-ureas as Gelators for Organic Solvents: Gelation Properties and Structural Studies in Solution and in the Gel State
  作者：Franck S. Schoonbeek、Jan H. van Esch、Ron Hulst、Richard M. Kellogg、Ben L. Feringa

  DOI：10.1002/1521-3765(20000717)6:14<2633::aid-chem2633>3.0.co;2-l

  日期：2000.7.17

  Several geminal bis-urea compounds were synthesised by means of an acid-catalysed condensation of various benzaldehydes with different monoalkylureas. Many of these compounds form thermoreversible gels with a number of organic solvents at very low concentrations (< 3 mM) and which are stable to temperatures higher than 100 degrees C. Electron microscopy revealed a three-dimensional (3D) network of intertwined fibres, which are several tens of micrometers long and have a width ranging from approximately 30 to 300 nm. The possible aggregate forms and aggregate symmetries were evaluated by means of molecular mechanics calculations. H-1 NMR, 2D NMR, C-13 NMR and C-13-CP/MAS NMR techniques were used to obtain information about the aggregation and possible aggregate symmetry of geminal bis-ureas in solution, in the gel state, and in the solid state.