N,N-diethyl-4-methoxy-6-allyl-2-tert-butyldimethylsilylbenzo[b]thiophene-5-carboxamide | 530101-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: N,N-diethyl-4-methoxy-6-allyl-2-tert-butyldimethylsilylbenzo[b]thiophene-5-carboxamide
• 英文别名: 2-[tert-butyl(dimethyl)silyl]-N,N-diethyl-4-methoxy-6-prop-2-enyl-1-benzothiophene-5-carboxamide
• CAS: 530101-50-9
• 化学式: C₂₃H₃₅NO₂SSi
• 分子量: 417.688
• InChiKey: AETVCDHSOJNGSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.84
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  57.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-diethyl-4-methoxy-6-allyl-2-tert-butyldimethylsilylbenzo[b]thiophene-5-carboxamide 在 盐酸 、 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 反应 55.0h， 生成 3,4-dihydro-3-methyl-9-methoxy-1-oxo-1H-[1]benzothieno[5,6-c]pyran
  参考文献：
  名称：

  Application of directed metallation in synthesis. Part 3: Studies in the synthesis of (±)-semivioxanthin and its analogues

  摘要：

  The synthesis of several analogues of (+/-)-semivioxanthin including five thiophene analogues, using directed metalation are reported. The strategy consisted of the synthesis of functionalized naphthalene or benzo[b]thiophene as building blocks followed by annelation of the pyrone. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01599-5
• 作为产物：
  描述：

  N,N-diethyl-4-carbamoyloxybenzo[b]thiophene 在 仲丁基锂 、 potassium carbonate 、 四亚甲基二胺 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 N,N-diethyl-4-methoxy-6-allyl-2-tert-butyldimethylsilylbenzo[b]thiophene-5-carboxamide
  参考文献：
  名称：

  Application of directed metallation in synthesis. Part 3: Studies in the synthesis of (±)-semivioxanthin and its analogues

  摘要：

  The synthesis of several analogues of (+/-)-semivioxanthin including five thiophene analogues, using directed metalation are reported. The strategy consisted of the synthesis of functionalized naphthalene or benzo[b]thiophene as building blocks followed by annelation of the pyrone. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01599-5

文献信息

• Application of directed metallation in synthesis. Part 3: Studies in the synthesis of (±)-semivioxanthin and its analogues
  作者：Sukanta Kamila、Chandrani Mukherjee、Sasanka S Mondal、Asish De

  DOI：10.1016/s0040-4020(02)01599-5

  日期：2003.2

  The synthesis of several analogues of (+/-)-semivioxanthin including five thiophene analogues, using directed metalation are reported. The strategy consisted of the synthesis of functionalized naphthalene or benzo[b]thiophene as building blocks followed by annelation of the pyrone. (C) 2003 Elsevier Science Ltd. All rights reserved.