(25R)-5α,8α-(4'-benzalamino)urazolospirost-6-en-3β-yl benzoate | 1440509-88-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (25R)-5α,8α-(4'-benzalamino)urazolospirost-6-en-3β-yl benzoate
• CAS: 1440509-88-5
• 化学式: C₄₃H₅₀N₄O₆
• 分子量: 718.893
• InChiKey: RBEHTEWKRXLBQV-MLBXROPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.31
• 重原子数：
  53.0
• 可旋转键数：
  4.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  106.05
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  苯甲醛 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.58h， 生成 (25R)-5α,8α-(4'-benzalamino)urazolospirost-6-en-3β-yl benzoate
  参考文献：
  名称：

  A Convenient Methodology for the in situ Oxidation of 4-Substituted Urazoles. Setting Up a One-Pot Procedure for the Efficient Protection of Dienes

  摘要：

  The oxidation of 4-substituted urazoles to the corresponding 1,2,4-triazoline-3,5-diones can be performed selectively in the presence of dienic systems by the action of the nitrosonium ion, formed in situ by stoichiometric amounts of sodium nitrite and acetic acid. This convenient methodology is mild, fast, and allows the efficient protection of dienic systems in a one-pot procedure. The dienes were not affected whatsoever by the nitrosonium ion, and react extremely fast with triazolinediones; promptly forming the corresponding Diels-Alder cycloadducts in good to excellent yields. The reaction medium did not affect steroids having an extra double bond at the side chain or an acid-labile spiroketal moiety.

  DOI：

  10.3987/com-12-12637