(6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
• 英文别名: (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
• 化学式: C₂₁H₂₈F₂O₂
• 分子量: 350.4
• InChiKey: UTJGTTCEKFMVDZ-HZPDHXFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol 、 (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol 、 三光气 、 2-(Nitrooxy)ethylammonium nitrate 、 三乙胺 在 氮气 、 柠檬酸 、 碳酸氢钠 、 magnesium sulfate 、 crude product 、 (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl (2-(nitrooxy)ethyl)carbamate 、 (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl (2-(nitrooxy)ethyl)carbamate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 以to obtain compound (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl (2-(nitrooxy)ethyl)carbamate (compound 53a) or (6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-yl (2-(nitrooxy)ethyl)carbamate (compound 53b)的产率得到(6aR,10aR)-3-(1,1-difluoropentyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-yl (2-(nitrooxy)ethyl)carbamate
  参考文献：
  名称：

  CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS

  摘要：

  本技术涉及新型大麻素硝酸酯及其类似物、制备方法、制药组合物及其作为药物、药理工具和/或生物标志物的使用方法。这些新型大麻素硝酸酯化合物提供了治疗各种疾病和医学障碍的有用药物。

  公开号：

  US20160002195A1

文献信息

• Cannabinergic nitrate esters and related analogs
  申请人：Northeastern University

  公开号：US10221164B2

  公开（公告）日：2019-03-05

  The present technology relates to novel cannabinergic nitrate esters and related analogs, process of preparation, pharmaceutical compositions and their methods of use as medicaments, pharmacological tools and/or biomarkers. The novel cannabinergic nitrate ester compounds provide medicaments useful in treating a variety of diseases and medical disorders.

  本技术涉及新型大麻素能硝酸酯和相关类似物、制备工艺、药物组合物及其作为药物、药理学工具和/或生物标记物的使用方法。新型大麻素能硝酸酯化合物可提供治疗各种疾病和医学紊乱的药物。
• Cannabinergic Nitrate Esters And Related Analogs
  申请人：Northeastern University

  公开号：US20170210728A1

  公开（公告）日：2017-07-27

  The present technology relates to novel cannabinergic nitrate esters and related analogs, process of preparation, pharmaceutical compositions and their methods of use as medicaments, pharmacological tools and/or biomarkers. The novel cannabinergic nitrate ester compounds provide medicaments useful in treating a variety of diseases and medical disorders.
• US9580400B2
  申请人：——

  公开号：US9580400B2

  公开（公告）日：2017-02-28
• [EN] CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS<br/>[FR] NITRO-ESTERS CANNABINERGIQUES ET ANALOGUES ASSOCIÉS
  申请人：UNIV NORTHEASTERN

  公开号：WO2014134127A1

  公开（公告）日：2014-09-04

  The present technology relates to novel cannabinergic nitrate esters and related analogs, process of preparation, pharmaceutical compositions and their methods of use as medicaments, pharmacological tools and/or biomarkers. The novel cannabinergic nitrate ester compounds provide medicaments useful in treating a variety of diseases and medical disorders.