1-[(1R,2S,6R,14R,15R,16S)-11-butoxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),11,18-trien-16-yl]ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-[(1R,2S,6R,14R,15R,16S)-11-butoxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),11,18-trien-16-yl]ethanone
• 化学式: C₂₆H₃₅NO₄
• 分子量: 425.6
• InChiKey: UGTJEAVMFGKABC-ZLKVESQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• [EN] PROCESS FOR PREPARING 7&bgr;-SUBSTITUTED 6α,14α -ETHENOMORPHINANS AND 7&bgr;-SUBSTITUTED 6α,14α-ETHANOMORPHINANS<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION D'ÉTHÉNO-6&Agr;,14&Agr;-MORPHINANES À SUBSTITUTION 7&Bgr; ET D'ÉTHANO-6&Agr;,14&Agr;-MORPHINANES À SUBSTITUTION 7&Bgr;
  申请人：RHODES TECHNOLOGIES

  公开号：WO2014102591A1

  公开（公告）日：2014-07-03

  The application is directed to a process for increasing the proportion of 7β-epimer in an 7α/7β-epimer mixture of a 7-substituted 6α,14α-ethenomorphinan or a 7-substituted 6α,14α-ethanomorphinan, and specifically of compounds of Formula (I), wherein G, R2-R4, and are defined as set forth in the specification. The application is also directed to a process for purifying the 7β-epimer from an 7α/7β-epimer mixture of a 7-substituted 6α,14α-ethenomorphinan or a 7-substituted 6α, 14α-ethanomorphinan. The application is also directed to a process for preparing 7β-substituted compounds of Formula Vb wherein G and R2 -R5 are defined as set forth in the specification.

  该申请涉及一种用于增加7-取代6α,14α-乙烯基吗啡或7-取代6α,14α-乙烷基吗啡的7α/7β-异构体混合物中7β-异构体比例的方法，具体地，涉及到公式（I）中G、R2-R4的化合物的方法，其中G、R2-R4的定义如规范中所述。该申请还涉及从7-取代6α,14α-乙烯基吗啡或7-取代6α,14α-乙烷基吗啡的7α/7β-异构体混合物中纯化7β-异构体的方法。该申请还涉及制备公式Vb中G和R2-R5定义如规范中所述的7β-取代化合物的方法。