methyl N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycinate

• 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: methyl N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycinate
• 英文别名: methyl 2-(N-acetyl-2-cyclopent-2-en-1-yl-6-methylanilino)acetate
• 化学式: C₁₇H₂₁NO₃
• 分子量: 287.359
• InChiKey: KMKPCVUFWZOZOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycinate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 生成 N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycine 、 N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycine
  参考文献：
  名称：

  Atropisomeric N-acyl-N-(cyclopentenylphenyl)glycines in the synthesis of oxazolo[3,4-a]benzoxazocinones

  摘要：

  Intramolecular [3+2]-cycloaddition was studied of munchnones generated at heating syn- and anti-atropisomers of N-acyl-N-[6-methyl-2-(cyclopent-2-en-1-yl)phenyl]glycines with acetic anhydride. By spectral and X-ray diffraction analysis syn-isomers of acids and tetrahydro-1,4,7-methanetriyl[1,3]oxazolo[3,4-a][1]- bensazocin-3(3aH)-ones were identified.

  DOI：

  10.1134/s1070428017050098
• 作为产物：
  描述：

  2-methyl-6-(cyclopenten-2'-yl)aniline 在 potassium carbonate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 40.0h， 生成 methyl N-acetyl-N-[2-methyl-6-(cyclopent-2-en-1-yl)phenyl]glycinate
  参考文献：
  名称：

  Atropisomeric N-acyl-N-(cyclopentenylphenyl)glycines in the synthesis of oxazolo[3,4-a]benzoxazocinones

  摘要：

  Intramolecular [3+2]-cycloaddition was studied of munchnones generated at heating syn- and anti-atropisomers of N-acyl-N-[6-methyl-2-(cyclopent-2-en-1-yl)phenyl]glycines with acetic anhydride. By spectral and X-ray diffraction analysis syn-isomers of acids and tetrahydro-1,4,7-methanetriyl[1,3]oxazolo[3,4-a][1]- bensazocin-3(3aH)-ones were identified.

  DOI：

  10.1134/s1070428017050098

文献信息

• Atropisomeric N-acyl-N-(cyclopentenylphenyl)glycines in the synthesis of oxazolo[3,4-a]benzoxazocinones
  作者：R. R. Gataullin、Z. A. Ibatullina、E. S. Meshcheryakova、A. A. Fatykhov、L. M. Khalilov

  DOI：10.1134/s1070428017050098

  日期：2017.5

  Intramolecular [3+2]-cycloaddition was studied of munchnones generated at heating syn- and anti-atropisomers of N-acyl-N-[6-methyl-2-(cyclopent-2-en-1-yl)phenyl]glycines with acetic anhydride. By spectral and X-ray diffraction analysis syn-isomers of acids and tetrahydro-1,4,7-methanetriyl[1,3]oxazolo[3,4-a][1]- bensazocin-3(3aH)-ones were identified.