di-t-butyl-1,5 phenyl-3 pentanedione-1,5 | 97792-20-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: di-t-butyl-1,5 phenyl-3 pentanedione-1,5
• 英文别名: 2,2,8,8-Tetramethyl-5-phenyl-nonane-3,7-dione；2,2,8,8-tetramethyl-5-phenylnonane-3,7-dione
• CAS: 97792-20-6
• 化学式: C₁₉H₂₈O₂
• 分子量: 288.43
• InChiKey: OUFAKYJGILQUSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  di-t-butyl-1,5 phenyl-3 pentanedione-1,5 在 sodium acetate 、 trityl tetrafluoroborate 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 0.67h， 生成 2,6-Ditert-butyl-4-phenylpyrylium;naphthalene-2-sulfonate
  参考文献：
  名称：

  Structure and Photophysical Properties of 2,6-Di-tert-Butyl-4-arylpyrylium 2-Naphthalenesulfonate Ion Pairs in Solution and in the Solid State

  摘要：

  2,6-Di-tert-butyl-4-arylpyrylium 2-naphthalenesulfonate salts form ion pairs in dimethylcarbonate solution that exhibit charge-transfer absorptions and result in the rapid quenching of the pyrylium fluorescence. Molecular mechanics calculations predict that these ion pairs exist in a T-shaped orientation, but X-ray structural analysis reveals a pi face-to-face arrangement in the solid state. Nuclear Overhauser effect and time-resolved spectroscopic experiments carried out in solution are consistent with a T-shape for the ion pair, but these experiments do not prove that this structural hypothesis is correct.

  DOI：

  10.1021/jo00084a033
• 作为产物：
  描述：

  频哪酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium methylate 、 sodium amide 作用下， 以 甲醇 、 苯 为溶剂， 反应 24.0h， 生成 di-t-butyl-1,5 phenyl-3 pentanedione-1,5
  参考文献：
  名称：

  Structure and Photophysical Properties of 2,6-Di-tert-Butyl-4-arylpyrylium 2-Naphthalenesulfonate Ion Pairs in Solution and in the Solid State

  摘要：

  2,6-Di-tert-butyl-4-arylpyrylium 2-naphthalenesulfonate salts form ion pairs in dimethylcarbonate solution that exhibit charge-transfer absorptions and result in the rapid quenching of the pyrylium fluorescence. Molecular mechanics calculations predict that these ion pairs exist in a T-shaped orientation, but X-ray structural analysis reveals a pi face-to-face arrangement in the solid state. Nuclear Overhauser effect and time-resolved spectroscopic experiments carried out in solution are consistent with a T-shape for the ion pair, but these experiments do not prove that this structural hypothesis is correct.

  DOI：

  10.1021/jo00084a033

文献信息

• Addition regioselective d'enolates de cetones aux α-enones
  作者：J. Bertrand、L. Gormchon、P. Mahoni

  DOI：10.1016/0040-4020(84)85094-2

  日期：1984.1

  Regio and stereochemistry in the addition of preformed magnesium and lithium ketone enolates (1 to 8) to α-enones (10 and 11) have been examined. When the substitution degree of the enolate is increased the formation of δ-diketone is favoured; nevertheless a good efficiency in the synthesis of the γ-ethylenic β-ketols (1-2 addition) is obtained via bromomagnesium enolates (EMgX) under kinetic conditions

  已经研究了在α-烯酮（10和11）中添加预先形成的镁和锂酮烯醇酸酯（1至8）的区域和立体化学。当烯醇化物的取代度增加时，倾向于形成δ-二酮；反之，则增加。然而，在动力学条件下通过溴化镁烯醇盐（EMgX）获得了合成γ-烯属β-酮醇的良好效率（1-2加成）。烯醇锂（ELi），主要是烯醇镁（E 2 MgX）优先提供迈克尔加成。通常观察到从1-2加到1-4的可逆性，但使用EMgBr或E 2时，非对映异构体δ-diLetones的立体化学（如果有）镁为起始烯醇化物。
• CORDISCHI, V. C.;DODDI, G.;ERCOLANI, G., J. CHEM. RES. SYNOP., 1985, N 2, 62-63
  作者：CORDISCHI, V. C.、DODDI, G.、ERCOLANI, G.

  DOI：——

  日期：——
• Structure and Photophysical Properties of 2,6-Di-tert-Butyl-4-arylpyrylium 2-Naphthalenesulfonate Ion Pairs in Solution and in the Solid State
  作者：Zhe Lin、Gary B. Schuster

  DOI：10.1021/jo00084a033

  日期：1994.3

  2,6-Di-tert-butyl-4-arylpyrylium 2-naphthalenesulfonate salts form ion pairs in dimethylcarbonate solution that exhibit charge-transfer absorptions and result in the rapid quenching of the pyrylium fluorescence. Molecular mechanics calculations predict that these ion pairs exist in a T-shaped orientation, but X-ray structural analysis reveals a pi face-to-face arrangement in the solid state. Nuclear Overhauser effect and time-resolved spectroscopic experiments carried out in solution are consistent with a T-shape for the ion pair, but these experiments do not prove that this structural hypothesis is correct.