2,2-dimethyl-5-hydroxymethyl-5-nitro-4-tridecanyl-1,3-dioxane | 161099-26-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-dimethyl-5-hydroxymethyl-5-nitro-4-tridecanyl-1,3-dioxane
• CAS: 161099-26-9
• 化学式: C₂₀H₃₉NO₅
• 分子量: 373.533
• InChiKey: DBSHCULDORRHIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  26.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  81.83
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-5-hydroxymethyl-5-nitro-4-tridecanyl-1,3-dioxane 在 palladium on activated charcoal ammonium formate 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 64.0h， 生成 2-amino-2-hydroxymethyl-hexadecan-1,3-diol hydrochloride
  参考文献：
  名称：

  Synthesis of sphinganine analogues modified in the head group

  摘要：

  The synthesis of sphinganine analogues modified in the head group is reported. The target compounds are efficiently prepared by means of the Henry reaction. Synthesis and results of preliminary investigations of the derivatives as potential inhibitors of sphingolipid biosynthesis are presented.

  DOI：

  10.1016/s0040-4020(01)89349-2
• 作为产物：
  描述：

  2-nitro-hexadecan-1,3-diol 在 氢氧化钾 、 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 生成 2,2-dimethyl-5-hydroxymethyl-5-nitro-4-tridecanyl-1,3-dioxane
  参考文献：
  名称：

  Synthesis of sphinganine analogues modified in the head group

  摘要：

  The synthesis of sphinganine analogues modified in the head group is reported. The target compounds are efficiently prepared by means of the Henry reaction. Synthesis and results of preliminary investigations of the derivatives as potential inhibitors of sphingolipid biosynthesis are presented.

  DOI：

  10.1016/s0040-4020(01)89349-2