N,N-dimethyl-2,4-dithiocyanatoaniline | 7494-05-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N,N-dimethyl-2,4-dithiocyanatoaniline
• 英文别名: 2,4-bisthiocyanato-N,N-dimethylanilin；N,N-dimethyl-2,4-bis-thiocyanato-aniline；N,N-Dimethyl-2,4-bis-thiocyanato-anilin；[2-(Dimethylamino)-5-thiocyanatophenyl] thiocyanate
• CAS: 7494-05-5
• 化学式: C₁₀H₉N₃S₂
• 分子量: 235.334
• InChiKey: BLTYIEBASWZWLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,N-二甲基苯胺 、 N-thiocyanatosuccinimide 以 甲醇 为溶剂， 反应 4.0h， 生成 N,N-dimethyl-2,4-dithiocyanatoaniline
  参考文献：
  名称：

  A Versatile Procedure for the Preparation of Aryl Thiocyanates Using N-Thiocyanatosuccinimide (NTS)

  摘要：

  A mild procedure for the thiocyanation of several types of arene substrate using N-thiocyanatosuccinimide (NTS) is described. The method appears generally applicable to benzenoid substrates with a wide range of substituents, as well as to heteroaromatic analogues such as indoles and thiophenes.

  DOI：

  10.1080/00397919508012691

文献信息

• Electrochemical <i>ipso</i> ‐Thiocyanation of Arylboron Compounds
  作者：Marco Dyga、Davit Hayrapetyan、Raja K. Rit、Lukas J. Gooßen

  DOI：10.1002/adsc.201900156

  日期：2019.8.5

  An operationally simple electrochemical method for the transition‐metal‐free ipso‐thiocyanation of arylboronic acids and aryl trifluoroborates has been developed. The SCN electrophile is generated in situ by anodic oxidation of thiocyanate anions, which avoids formation of salt waste and prevents unwanted side reactions arising from chemical oxidants. The reaction proceeds regiospecifically, and the

  对于过渡金属不含操作简单电化学方法本位-thiocyanation的芳基硼酸和芳基三氟硼酸已经研制成功。SCN亲电试剂是通过硫氰酸根阴离子的阳极氧化原位产生的，避免了盐分的形成并防止了由化学氧化剂引起的不良副反应。反应以区域特异性方式进行，范围扩展至未活化的芳族体系。
• Soederbaeck, Acta Chemica Scandinavica (1947), 1954, vol. 8, p. 1851,1855
  作者：Soederbaeck

  DOI：——

  日期：——