ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• 英文别名: Ethyl 2-(naphthalen-2-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• 化学式: C₂₂H₂₂N₂O₂S₂
• 分子量: 410.561
• InChiKey: SPADDNTWJNKDNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 3-(naphthalen-2-yl)-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-one
  参考文献：
  名称：

  Synthesis of Novel Substituted 2-Lactosylthiothieno[2,3-d]pyrimidin-4(3H)-one Derivatives

  摘要：

  The title compounds substituted 2‐lactosylthiothieno[2,3‐d]pyrimidin‐4‐ones 6 were synthesized by the glycosyl reaction and alcoholysis reaction of substituted 2‐thioxo‐thieno[2,3‐d]pyrimidin‐4‐ones 4,which is formed by the base catalytic and acetic acidify reaction of amino esters 2 with alkyl or arylisothiocyanates and hepta‐O‐acetyl‐lactosyl bromide in good yields. All of the compounds were confirmed by NMR, ESI‐MS, and elemental analysis.

  DOI：

  10.1002/jhet.1794
• 作为产物：
  描述：

  氰乙酸乙酯 在 sulfur 、 三乙胺 作用下， 反应 3.0h， 生成 ethyl 2-(3-(naphthalen-2-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  参考文献：
  名称：

  Synthesis of Novel Substituted 2-Lactosylthiothieno[2,3-d]pyrimidin-4(3H)-one Derivatives

  摘要：

  The title compounds substituted 2‐lactosylthiothieno[2,3‐d]pyrimidin‐4‐ones 6 were synthesized by the glycosyl reaction and alcoholysis reaction of substituted 2‐thioxo‐thieno[2,3‐d]pyrimidin‐4‐ones 4,which is formed by the base catalytic and acetic acidify reaction of amino esters 2 with alkyl or arylisothiocyanates and hepta‐O‐acetyl‐lactosyl bromide in good yields. All of the compounds were confirmed by NMR, ESI‐MS, and elemental analysis.

  DOI：

  10.1002/jhet.1794

文献信息

• Synthesis of Novel Substituted 2-Lactosylthiothieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Derivatives
  作者：Qiu-hong Dai、Kai Yan、Ming-guo Liu

  DOI：10.1002/jhet.1794

  日期：2014.9

  The title compounds substituted 2‐lactosylthiothieno[2,3‐d]pyrimidin‐4‐ones 6 were synthesized by the glycosyl reaction and alcoholysis reaction of substituted 2‐thioxo‐thieno[2,3‐d]pyrimidin‐4‐ones 4,which is formed by the base catalytic and acetic acidify reaction of amino esters 2 with alkyl or arylisothiocyanates and hepta‐O‐acetyl‐lactosyl bromide in good yields. All of the compounds were confirmed by NMR, ESI‐MS, and elemental analysis.