| 1292281-09-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1292281-09-4
• 化学式: C₃₅H₇₀N₄O₂Si
• 分子量: 607.052
• InChiKey: FRUPLYPYWUTFNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.78
• 重原子数：
  42.0
• 可旋转键数：
  27.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  69.9
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以97%的产率得到1-dodecanoyl-5-(1'-hydroxyhexadecyl)tetrazole
  参考文献：
  名称：

  Synthesis of novel ceramide-like penetration enhancers

  摘要：

  Ceramide-like penetration enhancers have been synthesized by isosteric replacements of the 1-hydroxymethyl and amide moieties of natural ceramides. Metabolically more stable oxime and five-membered heterocyclic (1,2,4-oxadiazole, 1,2,4-triazole, tetrazole) analogues are more polar and possess H-bond acceptor properties, which make them potentially useful in optimizing key intermolecular features in interactions between the modified ceramide structures and the lipid layers of stratum corneum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.024
• 作为产物：
  描述：

  叔丁基二甲基氯硅烷 在 sodium azide 、 sodium hydride 、 zinc(II) iodide 、 zinc dibromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 162.0h， 生成
  参考文献：
  名称：

  Synthesis of novel ceramide-like penetration enhancers

  摘要：

  Ceramide-like penetration enhancers have been synthesized by isosteric replacements of the 1-hydroxymethyl and amide moieties of natural ceramides. Metabolically more stable oxime and five-membered heterocyclic (1,2,4-oxadiazole, 1,2,4-triazole, tetrazole) analogues are more polar and possess H-bond acceptor properties, which make them potentially useful in optimizing key intermolecular features in interactions between the modified ceramide structures and the lipid layers of stratum corneum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.02.024