1-[(1R,2S,6R,14R,15R,16R)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone | 1616472-38-8

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 吗啡烷
• 英文名称: 1-[(1R,2S,6R,14R,15R,16R)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone
• CAS: 1616472-38-8
• 化学式: C₂₂H₂₅NO₄
• 分子量: 367.445
• InChiKey: PAQRTKYVYYRTCM-CYTOHMRRSA-N

物化性质

• 沸点：
  529.0±50.0 °C(predicted)
• 密度：
  1.38±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-[(1R,2S,6R,14R,15R,16R)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone;2,2,2-trifluoroacetic acid 在 ammonium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 以97%的产率得到1-[(1R,2S,6R,14R,15R,16R)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]ethanone
  参考文献：
  名称：

  [EN] PROCESS FOR PREPARING 7&bgr;-SUBSTITUTED 6α,14α -ETHENOMORPHINANS AND 7&bgr;-SUBSTITUTED 6α,14α-ETHANOMORPHINANS
  [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;

  摘要：

  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。

  公开号：

  WO2014102591A1

文献信息

• PROCESS FOR PREPARING 7BETA-SUBSTITUTED 6ALPHA,14ALPHA-ETHENOMORPHINANS AND 7BETA-SUBSTITUTED 6ALPHA,14ALPHA-ETHANOMORPHINANS
  申请人：REISCH Helge Alfred

  公开号：US20160068538A1

  公开（公告）日：2016-03-10

  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, R 2 -R 4 , 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 V b wherein G and R 2 -R 5 are defined as set forth in the specification.

  本申请涉及一种用于增加7-取代-6α,14α-乙烯吗啡烷或7-取代-6α,14α-乙烷吗啡烷的7α/7β-表异构体混合物中7β-表异构体比例的方法，具体地，涉及公式（I）中G，R2-R4的化合物。本申请还涉及一种从7-取代-6α,14α-乙烯吗啡烷或7-取代-6α,14α-乙烷吗啡烷的7α/7β-表异构体混合物中纯化7β-表异构体的方法。本申请还涉及一种制备公式Vb中G和R2-R5所定义的7β-取代化合物的方法。
• PROCESS FOR PREPARING 7 -SUBSTITUTED 6 ,14 -ETHENOMORPHINANS AND 7 -SUBSTITUTED 6 ,14 -ETHANOMORPHINANS
  申请人：Rhodes Technologies

  公开号：EP2941433B1

  公开（公告）日：2019-08-07
• US9834562B2
  申请人：——

  公开号：US9834562B2

  公开（公告）日：2017-12-05
• [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。