tetrahydropyranyl ether of 7-ethoxy-carbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol | 115956-05-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tetrahydropyranyl ether of 7-ethoxy-carbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
• 英文别名: Ethyl 3-(ethoxycarbonyl)-7-[(tetrahydro-2H-pyran-2-yl)oxy]-9-azabicyclo[3.3.1]nonane-9-acetate；ethyl 9-(2-ethoxy-2-oxoethyl)-7-(oxan-2-yloxy)-9-azabicyclo[3.3.1]nonane-3-carboxylate
• CAS: 115956-05-3
• 化学式: C₂₀H₃₃NO₆
• 分子量: 383.485
• InChiKey: CDYFLOXBCSGKQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-(乙氧基羰基)-7-氧代-9-氮杂双环[3.3.1]壬烷-9-乙酸乙酯 在 盐酸 、 sodium borohydrid 、 甲烷磺酸 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 tetrahydropyranyl ether of 7-ethoxy-carbonyl-9-(ethoxycarbonylmethyl)-9-azabicyclo[3.3.1]nonan-3-ol
  参考文献：
  名称：

  Esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3-(4H)-one and

  摘要：

  本发明涉及一组己氢-8-羟基-2,6-甲基-2H-喹啉-3(3H)-酮酯及相关化合物。这些化合物是通过适当的羧酸和醇经标准程序制备的，或者在立体因素显著时，可以使用一种新的过程，利用超酸的重金属盐。所涉及的化合物在治疗偏头痛和类似疾病以及细胞毒性药物引起的呕吐方面具有用途。

  公开号：

  US04906755A1

文献信息

• Medicament compositions derived from quinolizine and quinolizinone and
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05011846A1

  公开（公告）日：1991-04-30

  The present invention is directed to the use of esters of hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one and hexahydro-8-hydroxy-2,6-methano-2H-quinolizines in the manufacture of a medicament for the treatment of anxiety, psychosis, glaucoma and for the stimulation of gastric motility.

  本发明涉及在制造用于治疗焦虑、精神病、青光眼以及促进胃动力的药物中使用六氢-8-羟基-2,6-甲基-2H-喹啉-3(4H)-酮酯和六氢-8-羟基-2,6-甲基-2H-喹啉。
• Use of quinolizine and quinolizinone derivatives in the manufacture of medicaments for the treatment of cardiac arrhythmia
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0330788A1

  公开（公告）日：1989-09-06

  The present invention is directed to the use of heterocyclic esters of hexahydro-8-hydroxy-2,6-methano-2H-­quinolizin-3(4H)-ones and hexahydro-B-hydroxy-2,6-methano-­2H-quinolizines in the manufacture of cardiac antiarrhythmic agents

  本发明涉及在制造心脏抗心律失常药物中使用六氢-8-羟基-2,6-甲基-2H-喹诺利啉-3(4H)-酮和六氢-B-羟基-2,6-甲基-2H-喹诺利啉的杂环酯。
• Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof
  申请人：Tarur Venkatasubramanian Radhakrishnan

  公开号：US20080275241A1

  公开（公告）日：2008-11-06

  The present disclosure relates to a process for the preparation of endo-hexahydro-8-(3-indolylcarbonyloxy)-2,6-methano-2H-quinolizin-3(4H)-one or Dolasetron base. It also discloses a process for the preparation of endo-hexahydro-8-(3-indolylcarbonyloxy)-2,6-methano-2H-quinolizin-3(4H)-one mesylate or Dolasetron mesylate. Further, the present disclosure relates to a process for producing Form I of Dolasetron base, and to the novel crystalline polymorphs, Form II, III, IV and V of Dolasetron base and industrial processes for producing them.

  本公开涉及一种制备内酯型六氢-8-(3-吲哚基羰氧基)-2,6-甲基-2H-喹唑啉-3(4H)-酮或多拉司琼（Dolasetron）碱的方法。它还公开了一种制备内酯型六氢-8-(3-吲哚基羰氧基)-2,6-甲基-2H-喹唑啉-3(4H)-酮甲磺酸盐或多拉司琼甲磺酸盐的方法。此外，本公开还涉及制备多拉司琼碱的I型晶体，以及多拉司琼碱的新晶体多态形式II、III、IV和V的工业生产过程。
• Method for Preparing Hexahydro-8-Hydroxy-2, 6-Methano-2H-Chinolizin-3 (4H) -One Esters
  申请人：Bichsel Hans-Ulrich

  公开号：US20070299260A1

  公开（公告）日：2007-12-27

  The invention concerns a method for preparing optionally substituted 3-indolcarboxylic acid esters, with hexahydro-8-hydroxy-2,6-methano-2H-chinolizin-3(4H)-one. The invention is characterized in that the optionally substituted 3-indolcarboxylic acid is converted by means of a suitable halogenating agent, into corresponding acid halide, preferably corresponding acid chloride, and the latter is transformed with hexahydro-8-hydroxy-2,6-methano-2H-chinolizin-3(4H)-one. The invention is characterized in that the entire reaction occurs in acid medium with a maximum pH of 7.

  本发明涉及一种制备可选取代的3-吲哚羧酸酯的方法，使用六氢-8-羟基-2,6-甲基-2H-喹啉-3（4H）-酮。本发明的特点在于，通过适当的卤化剂将可选取代的3-吲哚羧酸转化为相应的酸卤化物，优选相应的酸氯化物，然后将其与六氢-8-羟基-2,6-甲基-2H-喹啉-3（4H）-酮反应。本发明的特点在于，整个反应在酸性介质中进行，pH值最大为7。
• GITTOS, MAURICE W.;MILLER, FRANCIS P.;SORENSEN, STEPHEN M.;FOZARD, JOHN R+
  作者：GITTOS, MAURICE W.、MILLER, FRANCIS P.、SORENSEN, STEPHEN M.、FOZARD, JOHN R+

  DOI：——

  日期：——