3,3,5,5-Tetramethyl-2,6-heptandion | 95581-33-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3,5,5-Tetramethyl-2,6-heptandion
• 英文别名: 3,3,5,5-Tetramethylheptane-2,6-dione
• CAS: 95581-33-2
• 化学式: C₁₁H₂₀O₂
• 分子量: 184.279
• InChiKey: QVEYQPCFWFOPTN-UHFFFAOYSA-N

物化性质

• 熔点：
  65 °C
• 沸点：
  261.5±23.0 °C(Predicted)
• 密度：
  0.901±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3,5,5-Tetramethyl-2,6-heptandion 在 锂硼氢 、 对甲苯磺酸 作用下， 以 乙醚 、 苯 为溶剂， 反应 12.0h， 生成 cis-2,3,3,5,5,6-Hexamethyltetrahydropyran
  参考文献：
  名称：

  Maier, Guenther; Seipp, Ulrich; Kalinowski, Hans-Otto, Chemische Berichte, 1994, vol. 127, # 8, p. 1427 - 1436

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2,4,4-tetramethylpentanedioic acid 、 甲基锂 以 四氢呋喃 、 乙醚 为溶剂， 生成 3,3,5,5-Tetramethyl-2,6-heptandion
  参考文献：
  名称：

  Maier, Guenther; Roth, Cornelia; Schmitt, Reinhart K., Chemische Berichte, 1985, vol. 118, # 2, p. 704 - 721

  摘要：

  DOI：

文献信息

• MAIER, G.;ROTH, C.;SCHMITT, R. K., CHEM. BER., 1985, 118, N 2, 704-721
  作者：MAIER, G.、ROTH, C.、SCHMITT, R. K.

  DOI：——

  日期：——
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