Perbenzoyl-methyl-carbonat | 10575-57-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Perbenzoyl-methyl-carbonat
• 英文别名: Methoxycarbonyl benzenecarboperoxoate
• CAS: 10575-57-2
• 化学式: C₉H₈O₅
• 分子量: 196.16
• InChiKey: QSYGMHRDDYGHEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] PROCESS FOR OBTAINING 16alpha,17alpha-CYCLOHEXANO-5alpha,6alpha-EPOXYPREGN-3beta-OL-20-ONE ACETATE<br/>[FR] PROCÉDÉ POUR OBTENIR L'ACÉTATE DE 16Alpha,17Alpha-CYCLOHEXANO-5Alpha,6Alpha-ÉPOXYPRÉGN-3Beta-OL-20-ONE
  申请人：LTD LIABILITY COMPANY IZVARINO PHARMA

  公开号：WO2013100811A1

  公开（公告）日：2013-07-04

  The invention relates to the chemistry of natural and physiologically active substances and especially, to a process for obtaining an intermediate product in the synthesis of steroid hormones of the pregnane series. The process for obtaining 16α,17α-cyclohexano-5α,6α-epoxypregn-3β-ol-20-one acetate comprises treatment of 16α,17α-cyclohexanopregn-5-en-3β-ol-20-one acetate with an organic peracid in the medium of a polar organic solvent, its particular characteristic is that p- carbomethoxyperbenzoic acid is used as the organic peracid, and the process is carried out at the temperature of 25 - 30°C and at the molar ratio of 16α,17α-cyclohexanopregn-5-en-3β-ol- 20-one acetate : p-carbomethoxyperbenzoic acid 1 : 1.1 - 1.5. The technical result is the security and simplifying of the proposed process and the improved specificity of the process for providing generation of a a-isomer of the desired product; the process can be used in the manufacture of an intermediate product for the synthesis of. steroid hormones of the pregnane series, which represent valuable hormonal products used in medicine.