(4aS,8aS)-3,3-Dichlorooctahydroquinolin-2(1H)-one | 87624-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉类
• 英文名称: (4aS,8aS)-3,3-Dichlorooctahydroquinolin-2(1H)-one
• 英文别名: (4aS,8aS)-3,3-dichloro-1,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
• CAS: 87624-02-0
• 化学式: C₉H₁₃Cl₂NO
• 分子量: 222.11
• InChiKey: ICSQYGDMSMVESO-BQBZGAKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  五氯化磷 、 cis-octahydroquinolin-2(1H)-one 、 磺酰氯 、 potassium carbonate 、 氯仿 在 二氯甲烷 、 Sodium sulfate-III 、 乙醇 、 甲烷 作用下， 反应 21.5h， 生成 (4aS,8aS)-3,3-Dichlorooctahydroquinolin-2(1H)-one
  参考文献：
  名称：

  Azabicycloamino carboxylic acid intermediates

  摘要：

  本发明涉及公式I的顺式、外向和反式化合物，其中n表示0、1或2，R1表示氢、(C1-C6)-烷基，该烷基可以选择地被氨基、(C1-C4)-酰基或苯甲酰氨基、(C2-C6)-烯基、(C5-C9)-环烷基、(C5-C9)-环烯基、(C5-C7)-环烷基-(C1-C4)-烷基、芳基或部分氢化芳基取代，每种情况下都可以被(C1-C2)-烷基、(C1-C2)-烷氧基或卤素、芳基-(C1-C4)-烷基取代，[可以如上所述在芳基基团中定义取代]、单环或双环硫或氮和/或氮杂环基，或天然氨基酸的侧链，R2表示氢、(C1-C6)-烷基、(C2-C6)-烯基或芳基-(C1-C4)-烷基，Y表示氢或羟基，Z表示氢或Y和Z一起表示氧，X表示(C1-C6)-烷基、(C2-C6)-烯基、(C5-C9)-环烷基或芳基，该芳基可以是单、双或三取代的，取代基为(C1-C4)-烷基、(C1-C4)-烷氧基、羟基、卤素、硝基、(C1-C4)-烷基氨基、二-(C1-C4)-烷基氨基或甲亚苯并3-基，或其生理上可接受的盐，其制备方法、含有它们的制剂、它们作为药物的用途以及其制备的中间体。

  公开号：

  US05101039A1

文献信息

• Derivatives of bicyclic aminoacids agents containing these compounds and
  申请人：Hoechst Aktiengesellschaft

  公开号：US04933361A1

  公开（公告）日：1990-06-12

  Disclosed are cis, exo- and trans-compounds of the formula I ##STR1## in which n denotes 0, 1 or 2, R.sub.1 denotes hydrogen, (C.sub.1 -C.sub.6)-alkyl which can optionally be substituted by amino, (C.sub.1 -C.sub.4)-acyl- or bezoylamino, (C.sub.2 -C.sub.6)-alkenyl, (C.sub.5 -C.sub.9)-cycloalkyl, (C.sub.5 -C.sub.9)-cycloalkenyl, (C.sub.5 -C.sub.7)-cycloalkyl-(C.sub.1 -C.sub.4)-alkyl, aryl or partially hydrogenated aryl, which can, in each case, be substituted by (C.sub.1 -C.sub.2)-alkyl, (C.sub.1 -C.sub.2)-alkoxy or halogen, aryl-(C.sub.1 -C.sub.4)-alkyl, /which can be substituted as defined previously in the aryl radical/, a monocyclic or bicyclic sulfur or nitrogen and/or nitrogen heterocyclic radical, or a side chain of naturally occurring aminoacid, R.sub.2 denotes hydrogen, (C.sub.1 -C.sub.6)-alkyl, (C.sub.2 -C.sub.6)-alkenyl or aryl-(C.sub.1 -C.sub.4)-alkyl, Y denotes hydrogen or hydroxyl, Z denotes hydrogen or Y and Z together denote oxygen, X denotes (C.sub.1 -C.sub.6)-alkyl, (C.sub.2 -C.sub.6)-alkenyl, (C.sub.6 -C.sub.9)-cycloalkyl or aryl which can be mono-, di- or tri- substituted by (C.sub.1 -C.sub.4)-alkyl, (C.sub.1 -C.sub.4)-alkoxy, hydroxyl, halogen, nitro, amino, (C.sub.1 -C.sub.4)-alkylamino, di-(C.sub.1 -C.sub.4 -alkylamino or methylenedioxy, or indol-3-yl, or physiologically acceptable salts thereof, a process of the preparation thereof, agents containing them, their use as a medicine and intermediates for the preparation thereof.

  本发明涉及一种公式I的顺式、外消旋和反式化合物，其中n表示0、1或2，R1表示氢、(C1-C6)-烷基，其可以选择地被氨基、(C1-C4)-酰基或苯甲酰氨基、(C2-C6)-烯基、(C5-C9)-环烷基、(C5-C9)-环烯基、(C5-C7)-环烷基-(C1-C4)-烷基、芳基或部分氢化芳基所取代，它们可以在每种情况下被(C1-C2)-烷基、(C1-C2)-烷氧基或卤素所取代，芳基-(C1-C4)-烷基，/它可以在芳基基团中定义前述的取代/，单环或双环硫或氮和/或氮杂环基团，或者是自然存在的氨基酸的侧链，R2表示氢、(C1-C6)-烷基、(C2-C6)-烯基或芳基-(C1-C4)-烷基，Y表示氢或羟基，Z表示氢或Y和Z一起表示氧，X表示(C1-C6)-烷基、(C2-C6)-烯基、(C6-C9)-环烷基或芳基，它可以是单取代、双取代或三取代的(C1-C4)-烷基、(C1-C4)-烷氧基、羟基、卤素、硝基、(C1-C4)-烷基氨基、二-(C1-C4)-烷基氨基或亚甲二氧基，或吲哚-3-基，或其生理上可接受的盐，其制备方法、含有它们的制剂、它们作为药物的用途以及制备它们的中间体。
• Bicyclic aminoacids as intermediates
  申请人：Hoechst Aktiengesellschaft

  公开号：US05008400A1

  公开（公告）日：1991-04-16

  Disclosed are cis, exo- and trans-compounds of the formula I ##STR1## in which n denotes 0,1 or 2, R.sub.1 denotes hydrogen, (C.sub.1 -C.sub.6)-alkyl which can optionally by substituted by amino, (C.sub.1 -C.sub.4)-acyl- or bezoylamino, (C.sub.2 -C.sub.6)-alkenyl, (C.sub.5 -C.sub.9)-cycloalkyl, (C.sub.5 -C.sub.9)-cycloalkenyl, (C.sub.5 -C.sub.7)-cycloalkyl-(C.sub.1 -C.sub.4)-alkyl, aryl or partially hydrogenated aryl, which can, in each case, be substituted by (C.sub.1 -C.sub.2)-alkyl, (C.sub.2 -C.sub.2)-alkoxy or halogen, aryl-(C.sub.1 -C.sub.4)-alkyl, /which can be substituted as defined previously in the aryl radical/, a monocyclic or bicyclic sulfur or nitrogen and/or nitrogen heterocyclic radical, or a side chain of naturally occurring aminoacid, R.sub.2 denotes hydrogen, (C.sub.1 -C.sub.6)-alkyl, (C.sub.2 -C.sub.6)-alkenyl or aryl-(C.sub.1 -C.sub.4)-alkyl, Y denotes hydrogen or hydroxyl, Z denotes hydrogen or Y and Z together denote oxygen, X denotes (C.sub.1 -C.sub.6)-alkyl, (C.sub.2 -C.sub.6)-alkenyl, (C.sub.5 -C.sub.9)-cycloalkyl or aryl which can be mono-, di- or tri- substituted by (C.sub.1 - C.sub.4)-alkyl, (C.sub.1 -C.sub.4)-alkoxy, hydroxyl, halogen, nitro, amino, (C.sub.1 -C.sub.4)-alkylamino, di-(C.sub.1 -C.sub.4)-alkylamino or methylenedioxy, or indol-3-yl, or physiologically acceptable salts thereof, a process for the preparation thereof, agents containing them, their use as a medicine and intermediates for the preparation thereof.

  本发明涉及式I的顺式、外式和反式化合物 其中n表示0、1或2，R1表示氢、(C1-C6)-烷基，该烷基可以选择性地被氨基、(C1-C4)-酰基或苯甲酰氨基、(C2-C6)-烯基、(C5-C9)-环烷基、(C5-C9)-环烯基、(C5-C7)-环烷基-(C1-C4)-烷基、芳基或部分氢化芳基所取代，每种情况下可以被(C1-C2)-烷基、(C2-C2)-烷氧基或卤素所取代，芳基-(C1-C4)-烷基，/其中在芳基基团中可以如前所述被取代/，单环或双环硫或氮和/或氮杂环基团，或天然氨基酸的侧链，R2表示氢、(C1-C6)-烷基、(C2-C6)-烯基或芳基-(C1-C4)-烷基，Y表示氢或羟基，Z表示氢或Y和Z一起表示氧，X表示(C1-C6)-烷基、(C2-C6)-烯基、(C5-C9)-环烷基或芳基，该芳基可以是单、双或三取代的(C1-C4)-烷基、(C1-C4)-烷氧基、羟基、卤素、硝基、(C1-C4)-烷基氨基、二-(C1-C4)-烷基氨基或亚甲基二氧基，或吲哚-3-基或生理上可接受的盐。本发明还涉及其制备方法、含有它们的制剂、它们作为药物的用途以及其制备的中间体。