Heptan-2-yl thiocyanate | 906725-48-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫氰酸盐
• 英文名称: Heptan-2-yl thiocyanate
• CAS: 906725-48-2
• 化学式: C₈H₁₅NS
• 分子量: 157.28
• InChiKey: NHIITCMFXJRSAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  硫氰酸铵 、 2-庚醇 在 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octanebis(tetrafluoroborate) 作用下， 以 乙腈 为溶剂， 反应 1.16h， 以100%的产率得到Heptan-2-yl thiocyanate
  参考文献：
  名称：

  Selectfluor™ F-TEDA-BF4 mediated thiocyanation or isothiocyanation of alcohols by in situ generation of [+SCN] under heterogeneous and neutral conditions

  摘要：

  A convenient approach for thiocyanation of alcohols has been developed using ammonium thiocyanate as thiocyanating agent in the presence of a catalytic amount of Selectfluor (TM) F-TEDA-BF4 in aqueous acetonitrile. In this method various alcohols generally afforded the corresponding thiocyanates or isothiocyanates directly in good to high yield under heterogeneous and neutral conditions. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.03.005

文献信息

• Selectfluor™ F-TEDA-BF4 mediated thiocyanation or isothiocyanation of alcohols by in situ generation of [+SCN] under heterogeneous and neutral conditions
  作者：Ardeshir Khazaei、Sadegh Rahmati、Ali Khalafi-nezhad、Shahnaz Saednia

  DOI：10.1016/j.jfluchem.2012.03.005

  日期：2012.5

  A convenient approach for thiocyanation of alcohols has been developed using ammonium thiocyanate as thiocyanating agent in the presence of a catalytic amount of Selectfluor (TM) F-TEDA-BF4 in aqueous acetonitrile. In this method various alcohols generally afforded the corresponding thiocyanates or isothiocyanates directly in good to high yield under heterogeneous and neutral conditions. (c) 2012 Elsevier B.V. All rights reserved.