9β,11β-epoxy-21-pivaloyloxy-17-hydroxy-16α-methyl-pregna-1,4-diene-3,20-dione | 74131-84-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 9β,11β-epoxy-21-pivaloyloxy-17-hydroxy-16α-methyl-pregna-1,4-diene-3,20-dione
• 英文别名: 9β,11β-epoxy-17α,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate；[2-[(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] 2,2-dimethylpropanoate
• CAS: 74131-84-3
• 化学式: C₂₇H₃₆O₆
• 分子量: 456.579
• InChiKey: MELXLXZGXKFSOQ-FPLYRJPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  9β,11β-epoxy-21-pivaloyloxy-17-hydroxy-16α-methyl-pregna-1,4-diene-3,20-dione 生成 3-acetoxy-9β,11β-epoxy-21-pivaloyloxy-17-hydroxy-16α-methyl-pregna-1,3,5-triene-21-one
  参考文献：
  名称：

  3-Acetoxy-9.beta.-11.beta.-epoxy-dienes and the preparation of the

  摘要：

  本发明涉及具有一般式1的3-乙酰氧基-9β、11β-环氧孕-1,3,5-三烯和相应的3,5-二烯，其中1,2位上可能存在双键，R.sub.3是氢或卤素原子或羟基、酰氧基、芳酰氧基或磺酰氧基基团；R.sub.1和/或R.sub.2是含有1-6个碳原子的氢原子或羟基、芳酰氧基、酰氧基或烷基基团，或者R.sub.1和R.sub.2一起形成16,17-异丙基亚甲基二氧基基团。本发明还涉及将相应的Δ1,4-3-酮-孕二烯或Δ4-3-酮-孕烯与异丙醋酸异丙烯酯反应制备这些化合物的方法，以及将它们与正卤素产生剂反应直接转化为具有一般式2的相应的6α-卤代孕-1,4-二烯-3-酮和孕-4-烯-3-酮的方法。

  公开号：

  US04255331A1

文献信息

• STEREOSELECTIVE METHOD OF PRODUCING 6ALPHA-FLUOROPREGNANES AND INTERMEDIARIES
  申请人：Ragactives, S.L.

  公开号：EP1422235B1

  公开（公告）日：2006-10-04
• Stereoselective process for the production of 6alpha-fluorpregnanes and intermediates
  申请人：Ragactives, S.L.

  公开号：US20040181055A1

  公开（公告）日：2004-09-16

  6&agr;-fluorpregnanes (I), where the dotted line between positions 1 and 2 represents a single or double bond; R1 is OH, OCOR 2 , X, SO 3 R 3 , or an (R 7 )(R 8 )(R 9 )SiO— group, where X is halogen, R 2 and R 3 are C 1-6 alkyl or phenyl optionally substituted by C 1-4 alkyl, and R 7 , R 8 and R 9 , equal or different, are C 1-6 alkyl or phenyl optionally substituted by C 1-4 alkyl, can be obtained by means of a high stereoselectivity process comprising reacting a 3-(trisubstituted)silyloxy-pregna-3,5-diene (IV) with a fluorinating agent selected among N-fluorosulfonimides and N-fluorosulfonamides. The 6&agr;-fluorpregnanes (I) are intermediates for the synthesis of steroids useful as anti-inflammatory and anti-asthmatic agents.
• US4255331A
  申请人：——

  公开号：US4255331A

  公开（公告）日：1981-03-10