N-(3-methyl-1H-inden-4-yl)acetamide | 1245938-31-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(3-methyl-1H-inden-4-yl)acetamide
• CAS: 1245938-31-1
• 化学式: C₁₂H₁₃NO
• 分子量: 187.241
• InChiKey: LXRWPMGBWTZQGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(3-methyl-1H-inden-4-yl)acetamide 在 platinum(IV) oxide 、 氢气 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、206.85 kPa 条件下， 反应 16.0h， 以97%的产率得到N-(3-methyl-indan-4-yl)acetamide
  参考文献：
  名称：

  Minimalist End Groups for Control of Absolute Helicity in Salen- and Salophen-Based Metallofoldamers

  摘要：

  (S)-1-Methylindan end groups are effective controllers of absolute helicity in Ni-salen- and Ni-salophen-based foldamers derived from (R,R)-trans-1,2-cyclohexanediamine and 1,2-phenylenediamine, respectively. Evidence for the helicity of the described complexes was provided through X-ray crystallography and study of chiroptical properties in solution. The chiral end groups control the absolute sense of helicity for the salen complexes, even in a case where the helical bias of the end group is mismatched relative to that of the internal diamine.

  DOI：

  10.1021/ol101583v
• 作为产物：
  描述：

  甲基碘化镁 、 N-(3-氧代-2,3-二氢-1H-茚-4-基)乙酰胺 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以67%的产率得到N-(3-methyl-1H-inden-4-yl)acetamide
  参考文献：
  名称：

  Minimalist End Groups for Control of Absolute Helicity in Salen- and Salophen-Based Metallofoldamers

  摘要：

  (S)-1-Methylindan end groups are effective controllers of absolute helicity in Ni-salen- and Ni-salophen-based foldamers derived from (R,R)-trans-1,2-cyclohexanediamine and 1,2-phenylenediamine, respectively. Evidence for the helicity of the described complexes was provided through X-ray crystallography and study of chiroptical properties in solution. The chiral end groups control the absolute sense of helicity for the salen complexes, even in a case where the helical bias of the end group is mismatched relative to that of the internal diamine.

  DOI：

  10.1021/ol101583v