2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)acrylic acid | 1103501-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)acrylic acid
• 英文别名: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)prop-2-enoic acid
• CAS: 1103501-54-7
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: WCDOFYMUZHAOFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)acrylic acid 、 4-fluorobenzenediazonium tetrafluoroborate 在 盐酸 、 titanium(III) chloride 作用下， 以 水 为溶剂， 反应 0.58h， 以64%的产率得到2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(4-fluorophenyl)propionic acid
  参考文献：
  名称：

  Radiochemical 18F-fluoroarylation of unsaturated α-, β- and γ-amino acids, application to a radiolabelled analogue of baclofen

  摘要：

  Unsaturated alpha-, beta- and gamma-amino acids have been investigated as substrates for the reductive Meerwein arylation. Radical reactions of this type have been shown to be a valuable tool for the fast and efficient introduction of the 4-[F-18]fluorophenyl group into precursor molecules allowing short-time syntheses of potential PET radiotracers, which would be more difficult to access by other methods. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.117
• 作为产物：
  描述：

  四氢异喹啉 、 2-(溴甲基)丙烯酸 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以90%的产率得到2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)acrylic acid
  参考文献：
  名称：

  Radiochemical 18F-fluoroarylation of unsaturated α-, β- and γ-amino acids, application to a radiolabelled analogue of baclofen

  摘要：

  Unsaturated alpha-, beta- and gamma-amino acids have been investigated as substrates for the reductive Meerwein arylation. Radical reactions of this type have been shown to be a valuable tool for the fast and efficient introduction of the 4-[F-18]fluorophenyl group into precursor molecules allowing short-time syntheses of potential PET radiotracers, which would be more difficult to access by other methods. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.07.117

文献信息

• Radiochemical 18F-fluoroarylation of unsaturated α-, β- and γ-amino acids, application to a radiolabelled analogue of baclofen
  作者：Sarah B. Höfling、Christina Hultsch、Hans-Jürgen Wester、Markus R. Heinrich

  DOI：10.1016/j.tet.2008.07.117

  日期：2008.12

  Unsaturated alpha-, beta- and gamma-amino acids have been investigated as substrates for the reductive Meerwein arylation. Radical reactions of this type have been shown to be a valuable tool for the fast and efficient introduction of the 4-[F-18]fluorophenyl group into precursor molecules allowing short-time syntheses of potential PET radiotracers, which would be more difficult to access by other methods. (C) 2008 Elsevier Ltd. All rights reserved.