2-(4-Phenylphenyl)propan-2-yl thiocyanate | 1198094-41-5

• 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: 2-(4-Phenylphenyl)propan-2-yl thiocyanate
• CAS: 1198094-41-5
• 化学式: C₁₆H₁₅NS
• 分子量: 253.368
• InChiKey: MYLXTJSOWWENAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  49.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(4-联苯基)-2-丙醇 、 N-thiocyanatosuccinimide 在 硫氰酸铵 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成 2-(4-Phenylphenyl)propan-2-yl thiocyanate
  参考文献：
  名称：

  In situ-generated N-thiocyanatosuccinimide (NTS) as a highly efficient reagent for the one-pot thiocyanation or isothiocyanation of alcohols

  摘要：

  The first application of in situ-generated N-thiocyanatosuccinimde (NTS) for the thiocyanation of alcohols is described. This method can be easily applied for the facile conversion of primary. secondary and tertiary alcohols into the corresponding alkyl thiocyanates or alkyl isothiocyanates in good to excellent yields (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.066

文献信息

• 2-Chloro-1-methylpyridinium iodide, an efficient reagent for the conversion of alcohols into alkyl thiocyanates both under solvent and solvent-free conditions
  作者：Babak Mokhtari、Roya Azadi、Edris Mardani

  DOI：10.1016/j.tetlet.2011.11.050

  日期：2012.2

  reagent for the simple phosphine-free conversion of alcohols into the corresponding alkyl thiocyanates is described. This transformation can be achieved either in acetonitrile or under solvent-free conditions and the products obtained in good to excellent yields. The solvent-free procedure described here is the first report on the solvent-free thiocyanation of alcohols.

  描述了Mukaiyama试剂在将醇简单地无膦转化为相应的烷基硫氰酸酯中的新应用。该转化可以在乙腈中或在无溶剂条件下完成，所获得的产物收率良好至优异。本文所述的无溶剂程序是有关醇类无溶剂硫氰化的首次报道。
• 2,4,4,6-Tetrabromo-2,5-cyclohexadienone as an efficient reagent for phosphine-free electrophilic transformation of alcohols and epoxides
  作者：Aslan Khajeh-Kolaki、Babak Mokhtari

  DOI：10.1080/17415993.2015.1126594

  日期：2016.5.3

  a stable phosphine-free reagent for the conversion of alcohols into alkyl thiocyanates and epoxides into 2-hydroxythiocyanates. The reactions seem to proceed via in situ generation of electrophilic sulfur species by reaction of NH4SCN and TABCO. This combined reagent worked well with both alcohols and epoxides in acetonitrile solvent and under solvent-free conditions. GRAPHICAL ABSTRACT

  摘要 在这项研究中，2,4,4,6-四溴-2,5-环己二烯酮 (TABCO) 被制备并成功用作稳定的无膦试剂，用于将醇转化为烷基硫氰酸酯和环氧化物转化为 2-羟基硫氰酸酯。这些反应似乎是通过 NH4SCN 和 TABCO 的反应原位产生亲电子硫物质来进行的。这种组合试剂在乙腈溶剂中和无溶剂条件下与醇和环氧化物均能很好地工作。图形概要