1-methyl-3-phenyl-2-imidazolidinethione | 67389-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1-methyl-3-phenyl-2-imidazolidinethione
• 英文别名: 1-methyl-3-phenylimidazolidine-2-thione；1-methyl-3-phenyl-imidazolidine-2-thione；1-Methyl-3-phenyl-imidazolidin-2-thion
• CAS: 67389-57-5
• 化学式: C₁₀H₁₂N₂S
• 分子量: 192.285
• InChiKey: GLBJBUKYAFXPJK-UHFFFAOYSA-N

物化性质

• 沸点：
  276.9±23.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-(methylthio)-1-phenyl-4,5-dihydro-1H-imidazole 生成 1-methyl-3-phenyl-2-imidazolidinethione
  参考文献：
  名称：

  ASSEF G.; KISTER J.; METZGER J., BULL. SOC. CHIM. FRANCE, 1979, PART. 2, NO 3-4, 165-176

  摘要：

  DOI：

文献信息

• A convenient method for the synthesis of 2-amino substituted aza-heterocycles from N,N′-disubstituted thioureas using TsCl/NaOH
  作者：Uwe Heinelt、Daniela Schultheis、Siegfried Jäger、Marion Lindenmaier、Annett Pollex、Henning S.g. Beckmann

  DOI：10.1016/j.tet.2004.08.031

  日期：2004.10

  p-Toluenesulfonyl chloride (TsCl)/NaOH has been introduced as reagent combination for the synthesis of 2-amino-oxa- or 2-amino-thiazolidines from N-(2-hydroxyethyl)-thioureas, but its general application in heterocycle synthesis has not been investigated. In this paper the convenient and efficient synthesis of a variety of 2-amino-substituted 1-aza 3-(aza, oxo or thio) heterocycles of different substitution and ring sizes is described. The application of polymer-supported TsCl facilitates work-up and renders the reaction conditions very suitable for parallel or robot synthesis. (C) 2004 Elsevier Ltd. All rights reserved.
• A mild cyclodesulfurization of N-(2-hydroxyethyl)-N′-phenylthioureas to 2-phenylamino-2-oxazolines using TsCl/NaOH
  作者：Taek Hyeon Kim、Namgun Lee、Gue-Jae Lee、Jae Nyoung Kim

  DOI：10.1016/s0040-4020(01)00682-2

  日期：2001.8

  An efficient synthesis of 2-phenylamino-2-oxazolines 3 via cyclodesulfurization of N-(2-hydroxyethyl)-N ' -phenylthioureas 2 by a one-pot reaction using p-toluenesulfonyl chloride (TsCl) and NaOH in very good yields is described. (C) 2001 Elsevier Science Ltd. All rights reserved.
• ASSEF G.; KISTER J.; METZGER J., BULL. SOC. CHIM. FRANCE, 1979, PART. 2, NO 3-4, 165-176
  作者：ASSEF G.、 KISTER J.、 METZGER J.

  DOI：——

  日期：——