1-[3-(4-Thiophen-3-ylbuta-1,3-diynyl)thiophen-2-yl]-5-trimethylsilylpenta-2,4-diyn-1-one | 848642-01-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(4-Thiophen-3-ylbuta-1,3-diynyl)thiophen-2-yl]-5-trimethylsilylpenta-2,4-diyn-1-one
• CAS: 848642-01-3
• 化学式: C₂₀H₁₄OS₂Si
• 分子量: 362.548
• InChiKey: VWMDUMBQVZJIKD-UHFFFAOYSA-N

物化性质

• 沸点：
  496.7±55.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.28
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  73.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  蒽 、 1-[3-(4-Thiophen-3-ylbuta-1,3-diynyl)thiophen-2-yl]-5-trimethylsilylpenta-2,4-diyn-1-one 以 苯 为溶剂， 以88%的产率得到12-Thiophen-3-yl-11-(2-trimethylsilylethynyl)-7-thiaheptacyclo[12.6.6.02,13.03,10.04,8.015,20.021,26]hexacosa-2(13),3(10),4(8),5,11,15,17,19,21,23,25-undecaen-9-one
  参考文献：
  名称：

  Synthesis of indenothiophenone derivatives by cycloaromatization of non-conjugated thienyl tetraynes

  摘要：

  Non-conjugated thienyl tetrayne derivatives 1-3 are prepared as novel building block for the construction of indenothiophenone derivatives. Oxidation of 1-3, followed by cycloaromatization of the corresponding ketone derivatives 13-15 proceeds smoothly to afford indenothiophenone derivatives 16-21 in good yields. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.005
• 作为产物：
  描述：

  1-[3-(4-Thiophen-3-ylbuta-1,3-diynyl)thiophen-2-yl]-5-trimethylsilylpenta-2,4-diyn-1-ol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到1-[3-(4-Thiophen-3-ylbuta-1,3-diynyl)thiophen-2-yl]-5-trimethylsilylpenta-2,4-diyn-1-one
  参考文献：
  名称：

  Synthesis of indenothiophenone derivatives by cycloaromatization of non-conjugated thienyl tetraynes

  摘要：

  Non-conjugated thienyl tetrayne derivatives 1-3 are prepared as novel building block for the construction of indenothiophenone derivatives. Oxidation of 1-3, followed by cycloaromatization of the corresponding ketone derivatives 13-15 proceeds smoothly to afford indenothiophenone derivatives 16-21 in good yields. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.005