1-(prop-1-en-1-yloxy)-2-(prop-1-en-1-ylthio)benzene | 1204589-00-3

• 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: 1-(prop-1-en-1-yloxy)-2-(prop-1-en-1-ylthio)benzene
• 英文别名: 1-Prop-1-enoxy-2-prop-1-enylsulfanylbenzene；1-prop-1-enoxy-2-prop-1-enylsulfanylbenzene
• CAS: 1204589-00-3
• 化学式: C₁₂H₁₄OS
• 分子量: 206.309
• InChiKey: LEFAKJPEMAYNDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(prop-1-en-1-yloxy)-2-(prop-1-en-1-ylthio)benzene 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 38.0h， 以77%的产率得到1,4-benzoxathiin
  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：

  1-(allyloxy)-2-(prop-1-en-1-ylthio)benzene 在 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以72%的产率得到1-(prop-1-en-1-yloxy)-2-(prop-1-en-1-ylthio)benzene
  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.