2-(prop-1-en-1-ylthio)aniline | 1204588-94-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(prop-1-en-1-ylthio)aniline
• 英文别名: 2-Prop-1-enylsulfanylaniline；2-prop-1-enylsulfanylaniline
• CAS: 1204588-94-2
• 化学式: C₉H₁₁NS
• 分子量: 165.259
• InChiKey: WHSYLHNXIPCXCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(prop-1-en-1-ylthio)aniline 、 对甲苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 18.5h， 以99%的产率得到4-methyl-N-[2-(prop-1-en-1-ylthio)phenyl]benzenesulfonamide
  参考文献：
  名称：

  Synthesis of unsaturated 1,4-heteroatom-containing benzo-fused heterocycles using a sequential isomerization–ring-closing metathesis strategy

  摘要：

  A small library of 1,4-benzodioxins and 4H-1,4-benzoxazines was synthesized from the corresponding bis-allyloxy precursors by way of an initial isomerization to the bis-vinyloxy compounds, followed by a ring-closing metathesis using the second generation Grubbs' catalyst (G2). A related strategy, starting from benzene-1,2-dithiol and 2-mercaptophenol, afforded benzodithiin and 1,4-benzoxathiin, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.061
• 作为产物：
  描述：

  2-丙-2-烯基硫基苯胺 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以85%的产率得到2-(prop-1-en-1-ylthio)aniline
  参考文献：
  名称：

  Synthesis of unsaturated 1,4-heteroatom-containing benzo-fused heterocycles using a sequential isomerization–ring-closing metathesis strategy

  摘要：

  A small library of 1,4-benzodioxins and 4H-1,4-benzoxazines was synthesized from the corresponding bis-allyloxy precursors by way of an initial isomerization to the bis-vinyloxy compounds, followed by a ring-closing metathesis using the second generation Grubbs' catalyst (G2). A related strategy, starting from benzene-1,2-dithiol and 2-mercaptophenol, afforded benzodithiin and 1,4-benzoxathiin, respectively. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.061

文献信息

• Synthesis of unsaturated 1,4-heteroatom-containing benzo-fused heterocycles using a sequential isomerization–ring-closing metathesis strategy
  作者：Garreth L. Morgans、E. Lindani Ngidi、Lee G. Madeley、Setshaba D. Khanye、Joseph P. Michael、Charles B. de Koning、Willem A.L. van Otterlo

  DOI：10.1016/j.tet.2009.10.061

  日期：2009.12

  A small library of 1,4-benzodioxins and 4H-1,4-benzoxazines was synthesized from the corresponding bis-allyloxy precursors by way of an initial isomerization to the bis-vinyloxy compounds, followed by a ring-closing metathesis using the second generation Grubbs' catalyst (G2). A related strategy, starting from benzene-1,2-dithiol and 2-mercaptophenol, afforded benzodithiin and 1,4-benzoxathiin, respectively. (C) 2009 Elsevier Ltd. All rights reserved.