(4S,6S)-4-hydroxymethyl-6-(2-phenylethyl)-2,2-dimethyl-1,3-dioxane | 465545-35-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4S,6S)-4-hydroxymethyl-6-(2-phenylethyl)-2,2-dimethyl-1,3-dioxane
• 英文别名: [(4S,6S)-2,2-dimethyl-6-(2-phenylethyl)-1,3-dioxan-4-yl]methanol
• CAS: 465545-35-1
• 化学式: C₁₅H₂₂O₃
• 分子量: 250.338
• InChiKey: XVBGRPJKXNZGEH-KBPBESRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4S,6S)-4-hydroxymethyl-6-(2-phenylethyl)-2,2-dimethyl-1,3-dioxane 在 三苯基膦 作用下， 以 四氯化碳 为溶剂， 反应 36.0h， 以67%的产率得到(4S,6S)-4-chloromethyl-6-(2-phenylethyl)-2,2-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Empirical Model for the Molar Rotations of syn-2,2-Dimethyl-1,3-dioxanes

  摘要：

  [GRAPHICS]A useful method for the prediction of molar rotation ([Phi]) of syn-2,2-dimethyl-1,3-dioxanes (acetonides) is described. A series of acetonides were prepared by standard methods. A simple additive relationship between the substituents (R, R') and molar rotation was realized.

  DOI：

  10.1021/ol0263550
• 作为产物：
  描述：

  (6S)-2,2-dimethyl-6-(((triisopropylsilyl)oxy)methyl)-1,3-dioxane-4-carbonitrile 在 四丁基氟化铵 、 氨 、 lithium 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 8.5h， 生成 (4S,6S)-4-hydroxymethyl-6-(2-phenylethyl)-2,2-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Empirical Model for the Molar Rotations of syn-2,2-Dimethyl-1,3-dioxanes

  摘要：

  [GRAPHICS]A useful method for the prediction of molar rotation ([Phi]) of syn-2,2-dimethyl-1,3-dioxanes (acetonides) is described. A series of acetonides were prepared by standard methods. A simple additive relationship between the substituents (R, R') and molar rotation was realized.

  DOI：

  10.1021/ol0263550

文献信息

• Empirical Model for the Molar Rotations of <i>syn</i>-2,2-Dimethyl-1,3-dioxanes
  作者：Christopher D. Anderson、Scott D. Rychnovsky

  DOI：10.1021/ol0263550

  日期：2002.9.1

  [GRAPHICS]A useful method for the prediction of molar rotation ([Phi]) of syn-2,2-dimethyl-1,3-dioxanes (acetonides) is described. A series of acetonides were prepared by standard methods. A simple additive relationship between the substituents (R, R') and molar rotation was realized.