21,21-diiodo-17β-hydroxy-17α-pregn-4-ene-3,20-dione 17-acetate | 139501-12-5

• 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: 21,21-diiodo-17β-hydroxy-17α-pregn-4-ene-3,20-dione 17-acetate
• 英文别名: [(8R,9S,10R,13S,14S,17S)-17-(2,2-diiodoacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
• CAS: 139501-12-5
• 化学式: C₂₃H₃₀I₂O₄
• 分子量: 624.298
• InChiKey: SYYJPKJRHXCJFY-PDCCYFQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  21,21-diiodo-17β-hydroxy-17α-pregn-4-ene-3,20-dione 17-acetate 在 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 反应 0.33h， 以0.016 g的产率得到21-iodo-17β-hydroxy-17α-pregn-4-ene-3,20-dione 17-acetate
  参考文献：
  名称：

  Transformed steroids. 186. Use of the diacetoxyiodobenzeneiodine system for the conversion of epimeric 17-ethynylandrost-4-en-17-ol-3-ones to pregnanes

  摘要：

  Epimeric 17-acetoxy-17-ethynylandrost-4-en-3-ones react with diacetoxyiodobenzene and iodine in acetic acid or methanol in an unusual manner to give 17-acetoxy-21,21-diiodo-17-pregn-4-en-3,20-diones, which are then converted to 21-monoiodides and 21-acetates. Epimeric 17-hydroxy-17-ethynylandrost-4-en-3-ones are inert under these conditions.

  DOI：

  10.1007/bf00959734
• 作为产物：
  描述：

  ethisterone acetate 在 碘苯二乙酸 、 碘 作用下， 以 溶剂黄146 为溶剂， 以0.5 g的产率得到21,21-diiodo-17β-hydroxy-17α-pregn-4-ene-3,20-dione 17-acetate
  参考文献：
  名称：

  Transformed steroids. 186. Use of the diacetoxyiodobenzeneiodine system for the conversion of epimeric 17-ethynylandrost-4-en-17-ol-3-ones to pregnanes

  摘要：

  Epimeric 17-acetoxy-17-ethynylandrost-4-en-3-ones react with diacetoxyiodobenzene and iodine in acetic acid or methanol in an unusual manner to give 17-acetoxy-21,21-diiodo-17-pregn-4-en-3,20-diones, which are then converted to 21-monoiodides and 21-acetates. Epimeric 17-hydroxy-17-ethynylandrost-4-en-3-ones are inert under these conditions.

  DOI：

  10.1007/bf00959734

文献信息

• Acyloxysteroids and process for producing same
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0071178A1

  公开（公告）日：1983-02-09

  There are disclosed novel intermediates, i.e. acyloxysteroids, which are useful for the preparation of corticoids such as hydrocortisone and prednisolone, and a process for producing the same.

  本发明公开了新型中间体（即酰氧基类固醇），可用于制备氢化可的松和泼尼松龙等皮质激素，并公开了制备该中间体的工艺。
• US4440689A
  申请人：——

  公开号：US4440689A

  公开（公告）日：1984-04-03