1,4-phenylene-bis[3-(4'-chlorophenyl)thiourea] | 77006-84-9

• 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: 1,4-phenylene-bis[3-(4'-chlorophenyl)thiourea]
• 英文别名: 1-(4-Chlorophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
• CAS: 77006-84-9
• 化学式: C₂₀H₁₆Cl₂N₄S₂
• 分子量: 447.412
• InChiKey: JOXDRCYJQOMCNR-UHFFFAOYSA-N

物化性质

• 沸点：
  565.8±60.0 °C(Predicted)
• 密度：
  1.543±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对苯二异硫氰酸酯 、 对氯苯胺 反应 0.07h， 以91%的产率得到1,4-phenylene-bis[3-(4'-chlorophenyl)thiourea]
  参考文献：
  名称：

  Highly Efficient Method for the Synthesis of 1,4-Phenylenedithioureas Under Solvent- and Catalyst-Free Conditions Promoted by Microwave Irridiation

  摘要：

  A highly efficient method for the synthesis of 1,4-phenylenedithioureas promoted by microwave irridiation is reported. It is based on the nucleophilic addition reaction of 1,4-phenylenediisothiocyanate to aromatic amines under solvent- and catalyst-free conditions. The reaction has the advantages of short reaction time, good yields, and environmental acceptability.

  DOI：

  10.1080/00397911.2010.535941

文献信息

• US4461821A
  申请人：——

  公开号：US4461821A

  公开（公告）日：1984-07-24
• Highly Efficient Method for the Synthesis of 1,4-Phenylenedithioureas Under Solvent- and Catalyst-Free Conditions Promoted by Microwave Irridiation
  作者：Li-Ping Zhang、Xiao-Bo Shang、Qing-Fen Wu、Yang Zhang、Jian-Ping Li

  DOI：10.1080/00397911.2010.535941

  日期：2012.4.1

  A highly efficient method for the synthesis of 1,4-phenylenedithioureas promoted by microwave irridiation is reported. It is based on the nucleophilic addition reaction of 1,4-phenylenediisothiocyanate to aromatic amines under solvent- and catalyst-free conditions. The reaction has the advantages of short reaction time, good yields, and environmental acceptability.