N-acetyl-2-hydroxy-(3,5-dimethoxyanilino)-acetophenone | 342808-83-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-acetyl-2-hydroxy-(3,5-dimethoxyanilino)-acetophenone
• 英文别名: N-(3,5-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)-2-oxoethyl]acetamide
• CAS: 342808-83-7
• 化学式: C₁₈H₁₉NO₅
• 分子量: 329.353
• InChiKey: IGGGDWSIEXGPHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-acetyl-2-hydroxy-(3,5-dimethoxyanilino)-acetophenone 在 potassium carbonate 、 三氟乙酸 作用下， 以 丙酮 为溶剂， 反应 11.0h， 生成 1-acetyl-3-(2-benzyloxyphenyl)-4,6-dimethoxyindole
  参考文献：
  名称：

  Synthesis of tethered indoles in the search for conformationally controlled calixindoles: an indole 3-substituent tether

  摘要：

  3-(2-Hydroxyphenyl)-4,6-dimethoxyindole 8 has been synthesised and linked to 1,3,5-tribromomethylbenzene and 1,2,4,5 tetrabromomethylbenzene to give the tri-indolyl and tetra-indolyl compounds 18 and 23, respectively. Attempts to generate capped calix[3]indoles and calix[4]indoles from these compounds were unsuccessful. (C) 2001 Elsevier Science Ltd. AU rights reserved.

  DOI：

  10.1016/s0040-4020(01)00053-9
• 作为产物：
  描述：

  2-溴-2'-羟基苯乙酮 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 5.5h， 生成 N-acetyl-2-hydroxy-(3,5-dimethoxyanilino)-acetophenone
  参考文献：
  名称：

  Synthesis of tethered indoles in the search for conformationally controlled calixindoles: an indole 3-substituent tether

  摘要：

  3-(2-Hydroxyphenyl)-4,6-dimethoxyindole 8 has been synthesised and linked to 1,3,5-tribromomethylbenzene and 1,2,4,5 tetrabromomethylbenzene to give the tri-indolyl and tetra-indolyl compounds 18 and 23, respectively. Attempts to generate capped calix[3]indoles and calix[4]indoles from these compounds were unsuccessful. (C) 2001 Elsevier Science Ltd. AU rights reserved.

  DOI：

  10.1016/s0040-4020(01)00053-9

文献信息

• Synthesis of tethered indoles in the search for conformationally controlled calixindoles: an indole 3-substituent tether
  作者：David StC Black、Naresh Kumar、Darryl B McConnell

  DOI：10.1016/s0040-4020(01)00053-9

  日期：2001.3

  3-(2-Hydroxyphenyl)-4,6-dimethoxyindole 8 has been synthesised and linked to 1,3,5-tribromomethylbenzene and 1,2,4,5 tetrabromomethylbenzene to give the tri-indolyl and tetra-indolyl compounds 18 and 23, respectively. Attempts to generate capped calix[3]indoles and calix[4]indoles from these compounds were unsuccessful. (C) 2001 Elsevier Science Ltd. AU rights reserved.