二(1-萘基)-酮二甲基缩醛 | 1038534-92-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 二(1-萘基)-酮二甲基缩醛
• 英文名称: di(1-naphthyl)-ketone dimethyl acetal
• CAS: 1038534-92-7
• 化学式: C₂₃H₂₀O₂
• 分子量: 328.411
• InChiKey: DETANCOCALBQQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (S)-(+)-1,2-丙二醇 、 二(1-萘基)-酮二甲基缩醛 在 对甲苯磺酸 作用下， 以 氯仿 为溶剂， 反应 16.0h， 生成 (S)-4-methyl-2,2-di(1-naphthyl)-[1,3]dioxolane
  参考文献：
  名称：

  A New Case of Induced Helical Chirality in a Bichromophoric System: Absolute Configuration of Transparent and Flexible Diols from the Analysis of the Electronic Circular Dichroism Spectra of the Corresponding Di(1-naphthyl)ketals

  摘要：

  Di(1-naphthyl)ketals of 1,n-diols show couplet effects allied to the (1)B naphthalene transition in their CD spectra. This means that they assume a conformation with a prevailing sense of twist of the naphthalene rings, imposed by the absolute configuration (AC) of the starting diols and by the nature of the R, groups. A positive couplet for aliphatic diols is a probe of (R,R), AC while the opposite sign is found for (R,R) aromatic diols.

  DOI：

  10.1021/ol8012149
• 作为产物：
  描述：

  双(萘-1-基)甲酮 、 三甲氧基磷 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 2.33h， 生成 二(1-萘基)-酮二甲基缩醛
  参考文献：
  名称：

  A New Case of Induced Helical Chirality in a Bichromophoric System: Absolute Configuration of Transparent and Flexible Diols from the Analysis of the Electronic Circular Dichroism Spectra of the Corresponding Di(1-naphthyl)ketals

  摘要：

  Di(1-naphthyl)ketals of 1,n-diols show couplet effects allied to the (1)B naphthalene transition in their CD spectra. This means that they assume a conformation with a prevailing sense of twist of the naphthalene rings, imposed by the absolute configuration (AC) of the starting diols and by the nature of the R, groups. A positive couplet for aliphatic diols is a probe of (R,R), AC while the opposite sign is found for (R,R) aromatic diols.

  DOI：

  10.1021/ol8012149