4-[10-(4-Formyl-2-hydroxyphenoxy)decoxy]-3-hydroxybenzaldehyde | 1415906-77-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[10-(4-Formyl-2-hydroxyphenoxy)decoxy]-3-hydroxybenzaldehyde
• 英文别名: 4-[10-(4-formyl-2-hydroxyphenoxy)decoxy]-3-hydroxybenzaldehyde
• CAS: 1415906-77-2
• 化学式: C₂₄H₃₀O₆
• 分子量: 414.499
• InChiKey: QXQDJGUDRRQUKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[10-(4-Formyl-2-hydroxyphenoxy)decoxy]-3-hydroxybenzaldehyde 在 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 136.0h， 生成
  参考文献：
  名称：

  Hemicarceplex Formation With a Cyclotriveratrylene-Based Molecular Cage Allows Isolation of High-Purity (≥99.0%) C₇₀ Directly from Fullerene Extracts

  摘要：

  A cyclotriveratrylene-based molecular cage that favors the formation of a room temperature isolable hemicarceplex with C-70, in the presence of C-60, has been developed. Significant differences in the association and dissociation kinetics of the molecular cage and buckyballs allowed the isolation of C-70 in high purity (>= 99.0%) from a commercial fullerene extract without the need for recrystallization or HPLC.

  DOI：

  10.1021/ol3027957
• 作为产物：
  描述：

  1,10-二溴癸烷 、 3,4-二羟基苯甲醛 在 potassium hydrogencarbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 4-[10-(4-Formyl-2-hydroxyphenoxy)decoxy]-3-hydroxybenzaldehyde
  参考文献：
  名称：

  Hemicarceplex Formation With a Cyclotriveratrylene-Based Molecular Cage Allows Isolation of High-Purity (≥99.0%) C₇₀ Directly from Fullerene Extracts

  摘要：

  A cyclotriveratrylene-based molecular cage that favors the formation of a room temperature isolable hemicarceplex with C-70, in the presence of C-60, has been developed. Significant differences in the association and dissociation kinetics of the molecular cage and buckyballs allowed the isolation of C-70 in high purity (>= 99.0%) from a commercial fullerene extract without the need for recrystallization or HPLC.

  DOI：

  10.1021/ol3027957

文献信息

• Hemicarceplex Formation With a Cyclotriveratrylene-Based Molecular Cage Allows Isolation of High-Purity (≥99.0%) C₇₀ Directly from Fullerene Extracts
  作者：Ming-Jhe Li、Chi-Hao Huang、Chien-Chen Lai、Sheng-Hsien Chiu

  DOI：10.1021/ol3027957

  日期：2012.12.21

  A cyclotriveratrylene-based molecular cage that favors the formation of a room temperature isolable hemicarceplex with C-70, in the presence of C-60, has been developed. Significant differences in the association and dissociation kinetics of the molecular cage and buckyballs allowed the isolation of C-70 in high purity (>= 99.0%) from a commercial fullerene extract without the need for recrystallization or HPLC.