4-((4-methylpiperazine-1-yl)carbothioyl)benzonitrile | 1429057-94-2

• 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: 4-((4-methylpiperazine-1-yl)carbothioyl)benzonitrile
• 英文别名: 4-(4-Methylpiperazine-1-carbothioyl)benzonitrile；4-(4-methylpiperazine-1-carbothioyl)benzonitrile
• CAS: 1429057-94-2
• 化学式: C₁₃H₁₅N₃S
• 分子量: 245.348
• InChiKey: YZDVTKCSDUBDQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  62.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吗啉 、 罗丹宁 、 4-(4-甲基哌嗪-1-羰基)苯甲腈 在 MCM-41 mesoporous silica 作用下， 以 乙醇 、 水 为溶剂， 反应 9.0h， 以73%的产率得到4-((4-methylpiperazine-1-yl)carbothioyl)benzonitrile
  参考文献：
  名称：

  A new application of rhodanine as a green sulfur transferring agent for a clean functional group interconversion of amide to thioamide using reusable MCM-41 mesoporous silica

  摘要：

  A novel thionation protocol for amide compounds, with the system rhodanine/secondary amine has been discovered. Clean and efficient synthesis of a variety of thioamides can be achieved through this simple and convenient method using MCM-41 mesoporous silica as an acid catalyst. For this purpose we have synthesized MCM-41 silica and characterized by using an array of sophisticated analytical techniques like BET, HR TEM, EDX, XRD, 29Si MAS NMR and FTIR. This reaction is therefore a very neat example of a functional group interconversion. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.02.045

文献信息

• A new application of rhodanine as a green sulfur transferring agent for a clean functional group interconversion of amide to thioamide using reusable MCM-41 mesoporous silica
  作者：Suman Ray、Asim Bhaumik、Arghya Dutta、Ray J. Butcher、Chhanda Mukhopadhyay

  DOI：10.1016/j.tetlet.2013.02.045

  日期：2013.4

  A novel thionation protocol for amide compounds, with the system rhodanine/secondary amine has been discovered. Clean and efficient synthesis of a variety of thioamides can be achieved through this simple and convenient method using MCM-41 mesoporous silica as an acid catalyst. For this purpose we have synthesized MCM-41 silica and characterized by using an array of sophisticated analytical techniques like BET, HR TEM, EDX, XRD, 29Si MAS NMR and FTIR. This reaction is therefore a very neat example of a functional group interconversion. (C) 2013 Elsevier Ltd. All rights reserved.