N-4-Chlorophenyl-N',N'-dioctylurea | 144106-08-1

• 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: N-4-Chlorophenyl-N',N'-dioctylurea
• 英文别名: 3-(4-Chlorophenyl)-1,1-dioctylurea
• CAS: 144106-08-1
• 化学式: C₂₃H₃₉ClN₂O
• 分子量: 395.028
• InChiKey: KUMUJKPXYRQXTE-UHFFFAOYSA-N

物化性质

• 沸点：
  525.1±42.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  27
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二正辛胺 、 4-氯苯基脲 以 xylene 为溶剂， 反应 0.5h， 以20%的产率得到N-4-Chlorophenyl-N',N'-dioctylurea
  参考文献：
  名称：

  The synthesis of N-substituted ureas II: Nucleophilic substitution of ureas at the carbonyl group

  摘要：

  N-Arylsubstituted ureas undergo exchange of the N'-residue upon reaction with amines. Using kinetic measurements, investigation of product distribution, regioselectivity, catalysis, and substrate influences, it was shown that this reaction proceeds via a second order nucleophilic substitution at the urea carbonyl center. By means of semiempirical calculations using the MNDO method the alternative mechanism of fragmentation was investigated.

  DOI：

  10.1007/bf00816856

文献信息

• Stabilized lactam polymerization solutions
  申请人：DSM RIM NYLON V.O.F

  公开号：EP0239170A1

  公开（公告）日：1987-09-30

  Unsaturated oligomers and solutions thereof are stabilized with a trisubstituted urea to provide improved storage stability. The stabilized unsaturated oligomer solutions are useful in lactam polymerization processes which yield nylon block copolymers containing unsaturated oligomer segments. The unsaturated oligomers disclosed herein have at least 4 carbons and have pendant thereto at least one hydroxy, amine, epoxy, acyllactam, or acyllactam precursor group.

  使用三取代脲稳定不饱和低聚物及其溶液，可提高储存稳定性。稳定的不饱和低聚物溶液适用于内酰胺聚合工艺，该工艺可产生含有不饱和低聚物段的尼龙嵌段共聚物。本文公开的不饱和低聚物至少有 4 个碳原子，并至少有一个羟基、胺、环氧、酰内酰胺或酰内酰胺前体基团。
• US4694039A
  申请人：——

  公开号：US4694039A

  公开（公告）日：1987-09-15
• US4672085A
  申请人：——

  公开号：US4672085A

  公开（公告）日：1987-06-09
• US5283362A
  申请人：——

  公开号：US5283362A

  公开（公告）日：1994-02-01
• The synthesis of N-substituted ureas II: Nucleophilic substitution of ureas at the carbonyl group
  作者：Kurt A. Hackl、Heinz Falk

  DOI：10.1007/bf00816856

  日期：——

  N-Arylsubstituted ureas undergo exchange of the N'-residue upon reaction with amines. Using kinetic measurements, investigation of product distribution, regioselectivity, catalysis, and substrate influences, it was shown that this reaction proceeds via a second order nucleophilic substitution at the urea carbonyl center. By means of semiempirical calculations using the MNDO method the alternative mechanism of fragmentation was investigated.