2,6-Dimethyl-1,5-bis(1-oxo-1-phenyl-2-propoxy)naphthalene | 137517-24-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,6-Dimethyl-1,5-bis(1-oxo-1-phenyl-2-propoxy)naphthalene
• 英文别名: 2-[2,6-dimethyl-5-(1-oxo-1-phenylpropan-2-yl)oxynaphthalen-1-yl]oxy-1-phenylpropan-1-one
• CAS: 137517-24-9
• 化学式: C₃₀H₂₈O₄
• 分子量: 452.55
• InChiKey: KRXHHFUJPXPQTC-UHFFFAOYSA-N

物化性质

• 沸点：
  644.1±55.0 °C(Predicted)
• 密度：
  1.161±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.76
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2,6-Dimethyl-1,5-bis(1-oxo-1-phenyl-2-propoxy)naphthalene 在 甲烷磺酸 作用下， 以 二氯甲烷 为溶剂， 生成 4,9-Diphenyl-2,5,7,10-tetramethyl-1,6-dioxapyrene
  参考文献：
  名称：

  Synthesis and properties of substituted 1,6-dioxapyrene donors

  摘要：

  The synthesis of substituted 1,6-dioxapyrenes, 2b-g, from 2,6-dipropyl-1,5-naphthalenediol (7a) or 2,6-dimethyl-1,5-naphthalenediol (7b) is described. Diol 7a was prepared by Claisen allylic rearrangement followed by reduction, and 7b was prepared by Mannich reaction of 1,5-naphthalenediol followed by base-promoted hydrogenolysis. The 1,6-dioxapyrenes can be oxidized to stable cation radicals at +0.2-0.35 V vs SCE and to dications at +0.8-1.20 V. The preparation of some tetracyanoquinodimethane salts and binary cation radical salts of the 1,6-dioxapyrenes is reported.

  DOI：

  10.1021/jo00025a020
• 作为产物：
  描述：

  2,6-Dimethyl-1,5-naphthalenediol diacetate 在 甲醇 、 potassium carbonate 、 乙酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2,6-Dimethyl-1,5-bis(1-oxo-1-phenyl-2-propoxy)naphthalene
  参考文献：
  名称：

  Synthesis and properties of substituted 1,6-dioxapyrene donors

  摘要：

  The synthesis of substituted 1,6-dioxapyrenes, 2b-g, from 2,6-dipropyl-1,5-naphthalenediol (7a) or 2,6-dimethyl-1,5-naphthalenediol (7b) is described. Diol 7a was prepared by Claisen allylic rearrangement followed by reduction, and 7b was prepared by Mannich reaction of 1,5-naphthalenediol followed by base-promoted hydrogenolysis. The 1,6-dioxapyrenes can be oxidized to stable cation radicals at +0.2-0.35 V vs SCE and to dications at +0.8-1.20 V. The preparation of some tetracyanoquinodimethane salts and binary cation radical salts of the 1,6-dioxapyrenes is reported.

  DOI：

  10.1021/jo00025a020