1-cyclopentyl-3-p-tolyl-thiourea | 39964-30-2

• 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-cyclopentyl-3-p-tolyl-thiourea
• 英文别名: 1-Cyclopentyl-3-(4-methylphenyl)thiourea
• CAS: 39964-30-2
• 化学式: C₁₃H₁₈N₂S
• mdl: MFCD02640780
• 分子量: 234.365
• InChiKey: QJUXIXUKPFVNKL-UHFFFAOYSA-N

物化性质

• 沸点：
  345.0±35.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  56.2
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-cyclopentyl-3-p-tolyl-thiourea 、 manganese triacetate 以 乙腈 为溶剂， 反应 3.0h， 以59%的产率得到N-(cyclopentylcarbamoyl)-N-(4-methylphenyl)acetamide
  参考文献：
  名称：

  Regioselective synthesis of N-acetylureas by manganese(III) acetate reaction of 1,3-disubstituted thioureas

  摘要：

  Reactions of asymmetrical 1,3-disubstituted thioureas with manganese(III) acetate produce regioselective N-acetylureas. A mechanism for this novel transformation is proposed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.02.013

文献信息

• Anticonvulsant and cardiovascular effects of substituted thiazolidones
  作者：S. Nagar、H. H. Singh、J. N. Sinha、Surendra S. Parmar

  DOI：10.1021/jm00260a027

  日期：1973.2
• NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES
  申请人：UNIVERSITÉ LAVAL

  公开号：US20210163404A1

  公开（公告）日：2021-06-03

  Novel urea, thiourea and squaramide compounds and bioisosteres thereof of formulas (I) and (VI) and the use thereof for treating, attenuating, inhibiting or preventing inflammation and inflammation-related pathologies are described herein.
• Regioselective synthesis of N-acetylureas by manganese(III) acetate reaction of 1,3-disubstituted thioureas
  作者：Xue-Jun Mu、Jian-Ping Zou、Qiu-Feng Qian、Wei Zhang

  DOI：10.1016/j.tetlet.2006.02.013

  日期：2006.4

  Reactions of asymmetrical 1,3-disubstituted thioureas with manganese(III) acetate produce regioselective N-acetylureas. A mechanism for this novel transformation is proposed. (c) 2006 Elsevier Ltd. All rights reserved.