diethyl 2-acetyl-1,2-dihydronaphthoazepine-3,3-dicarboxylate | 1226509-37-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl 2-acetyl-1,2-dihydronaphthoazepine-3,3-dicarboxylate
• 英文别名: Diethyl 11-acetyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene-12,12-dicarboxylate；diethyl 11-acetyl-11-azatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene-12,12-dicarboxylate
• CAS: 1226509-37-0
• 化学式: C₂₁H₂₃NO₅
• 分子量: 369.417
• InChiKey: XPUPZAQDPGPQFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,8-双(溴甲基)萘 、 乙酰氨基丙二酸二乙酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以64%的产率得到diethyl 2-acetyl-1,2-dihydronaphthoazepine-3,3-dicarboxylate
  参考文献：
  名称：

  Diversity-Oriented Approach to 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid (Tic) Derivatives Using Diethyl Acetamidomalonate as a Glycine Equivalent: Further Expansion by Suzuki–Miyaura Cross-Coupling Reaction

  摘要：

  Synthesis of diverse 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (Tic) derivatives and its higher analogues are reported using diethyl acetamidomalonate as a glycine equivalent. In addition, various substituted Tic derivatives are assembled by application of Suzuki-Miyaura cross-coupling reaction as a key step.

  DOI：

  10.3987/com-09-s(s)103

文献信息

• Diversity-Oriented Approach to 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid (Tic) Derivatives
  作者：Sambasivarao Kotha、Shilpi Misra、Nimita Gopal Krishna、Vijayalakshmi Bandi、Mohammad Saifuddin、Nagaraju Devunuri

  DOI：10.3987/com-15-s(t)16

  日期：——

  A convenient method is reported for synthesizing various 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives and bis-armed acid derivatives by treating dibromo-o-xylylenes precursor with diethyl acetamidomalonate under basic conditions. Suzuki coupling reaction has been to expand this methodology. One of the structure revision of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid into bis-armed amino acid is also reported.