| 1702725-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 1702725-92-5
• 化学式: C₂₂H₂₉Cl₂N₅O
• 分子量: 450.4
• InChiKey: PDTLTAUZJXYMDB-IYARVYRRSA-N

物化性质

• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  53.4
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  以73的产率得到非维匹仑
  参考文献：
  名称：

  [EN] 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF
  [FR] DÉRIVÉS DE 1,4-CYCLOHEXYLAMINE ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  本发明涉及一种合成Cariprazine的方法，Cariprazine是一种抗精神病化合物，可用于治疗与精神分裂症相关的阳性和阴性症状，其结构式如下：（A）本发明还涉及合成中间体的方法，这些中间体可用于制备Cariprazine。

  公开号：

  WO2015056164A1
• 作为产物：
  描述：

  trans-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexanamine 以68的产率得到
  参考文献：
  名称：

  [EN] 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF
  [FR] DÉRIVÉS DE 1,4-CYCLOHEXYLAMINE ET LEURS PROCÉDÉS DE PRÉPARATION

  摘要：

  本发明涉及一种合成Cariprazine的方法，Cariprazine是一种抗精神病化合物，可用于治疗与精神分裂症相关的阳性和阴性症状，其结构式如下：（A）本发明还涉及合成中间体的方法，这些中间体可用于制备Cariprazine。

  公开号：

  WO2015056164A1

文献信息

• Process for the preparation of trans 4-amino-cyclohexyl acetic acid ethyl ester HCl
  申请人：Hegedus Laszlo

  公开号：US08802888B2

  公开（公告）日：2014-08-12

  The invention relates to a process for the preparation of trans 4-amino-cyclohexil ethyl acetate HCl wherein d) hydrogenating 4-nitrophenyl acetic acid in a protic solvent at a temperature between 40-50° C. in the presence of Pd/C under 0.1-0.6 bar overpressure, and e) further hydrogenating the 4-aminophenyl acetic acid obtained in situ in step a) at a temperature between 50-60° C. under 1-4 bar overpressures, then f) heating to reflux the 4-aminocyclohexil acetic acid obtained in step b) for 1-3 hours in hydrochloric ethanol, and if desired after removing the solvent acetonitrile was added to the residue obtained and distilled off.

  本发明涉及一种制备反式4-氨基环己基乙酸乙酯盐酸盐的方法，其中d）在质子溶剂中，在Pd/C存在下，在40-50℃的温度下，以0.1-0.6巴的过压下氢化4-硝基苯乙酸，然后e）在1-4巴的过压下，在50-60℃的温度下，进一步氢化在步骤a）中原位获得的4-氨基苯乙酸，然后f）在盐酸乙醇中回流所得的4-氨基环己基乙酸，1-3小时，如果需要，在去除溶剂后，加入乙腈到所得残渣中，并蒸馏。
• [EN] PIPERAZINE SALT AND A PROCESS FOR THE PREPARATION THEREOF<br/>[FR] SEL DE PIPERAZINE ET SON PROCEDE DE PREPARATION
  申请人：RICHTER GEDEON NYRT

  公开号：WO2010070369A1

  公开（公告）日：2010-06-24

  The invention relates to novel trans N-4-2-[4-(2,3-dichlorophenyl)-piperazine-l-il]-ethyl}- cyclohexylamine dihydrochloride monohydrate and a process for the preparation of the trans N- 4- 2-[4-(2,3-dichlorophenyl)-piperazine-l -il]-ethyl}-cyclohexylamine dihydrochloride monohydrate, said process comprising the steps a) reacting trans 2-l-[4-(N-tert-butoxycarbonyl)amino]- cyclohexyl} -acetic acid ester with sodium borohydride and aluminium trichloride to give trans 2-l-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-ethanol; b) reacting trans 2-l-[4-(N-tert-butoxycarbonyl)-amino]cyclohexyl}-ethanol obtained with methanesulfonic acid chloride in the presence of an acid binding agent to give trans 2-l-[4- (N-tert-butoxycarbonyl)-amino] -cyclohexyl} -ethyl methanesulfonate; c) reacting trans 2-l-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-ethyl methanesulfonate obtained with 2,3-dichlorophenyl-piperazine in the presence of an acid binding agent to give trans 2-l-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-carbamic acid tert-butylester; d) heating trans 2-l-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-carbamic acid tert- butylester obtained to a temperature between 40-100°C in a mixture of aqueous hydrochloric acid/methanol to give trans N-4-2-[4-(2,3-dichlorophenyl)piperazine-l-il]-ethyl}- cyclohexylamine dihydrochloride monohydrate.

  本发明涉及一种新型的trans N-4-2-[4-(2,3-二氯苯基)-哌嗪-1-yl]-乙基}-环己胺二盐酸盐一水合物及其制备方法，该方法包括以下步骤：a)将trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-乙酸酯与硼氢化钠和三氯化铝反应，得到trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-乙醇；b)将所得的trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-乙醇与甲磺酸氯在酸性中和剂存在下反应，得到trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-乙基甲磺酸酯；c)将所得的trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-乙基甲磺酸酯与2,3-二氯苯基哌嗪在酸性中和剂存在下反应，得到trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-氨基甲酸叔丁酯；d)将所得的trans 2-l-[4-(N-叔丁氧羰基)氨基]-环己基}-氨基甲酸叔丁酯在水盐酸/甲醇混合物中加热至40-100°C的温度，得到trans N-4-2-[4-(2,3-二氯苯基)哌嗪-1-yl]-乙基}-环己胺二盐酸盐一水合物。
• Piperazine salt and a process for the preparation thereof
  申请人：Czibula Laszlo

  公开号：US08569496B2

  公开（公告）日：2013-10-29

  The invention relates to novel trans N-4-2-[4-(2,3-dichlorophenyl)-piperazine-1-il]-ethyl}-cyclohexylamine dihydrochloride monohydrate and a process for the preparation of the trans N-4-2-[4-(2,3-dichlorophenyl)-piperazine-1-il]-ethyl}-cyclohexylamine dihydrochloride monohydrate, said process comprising the steps a) reacting trans 2-1-[4-(N-tert-butoxycarbonyl)amino]-cyclohexyl}-acetic acid ester with sodium borohydride and aluminum trichloride to give trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-ethanol; b) reacting trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]cyclohexyl}-ethanol obtained with methanesulfonic acid chloride in the presence of an acid binding agent to give trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-ethyl methanesulfonate; c) reacting trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-ethyl methanesulfonate obtained with 2,3-dichlorophenyl-piperazine in the presence of an acid binding agent to give trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-carbamic acid tert-butylester; d) heating trans 2-1-[4-(N-tert-butoxycarbonyl)-amino]-cyclohexyl}-carbamic acid tert-butylester obtained to a temperature between 40-100° C. in a mixture of aqueous hydrochloric acid/methanol to give trans N-4-2-[4-(2,3-dichlorophenyl)piperazine-1-il]-ethyl}-cyclohexylamine dihydrochloride monohydrate.

  本发明涉及新型的trans N-4-2-[4-(2,3-二氯苯基)-哌嗪-1-基]-乙基}-环己胺二盐酸盐一水合物，以及制备trans N-4-2-[4-(2,3-二氯苯基)-哌嗪-1-基]-乙基}-环己胺二盐酸盐一水合物的方法，该方法包括以下步骤：a）将trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-乙酸酯与硼氢化钠和三氯化铝反应，得到trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-乙醇；b）将所得的trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-乙醇与甲磺酸氯在酸性中和剂存在下反应，得到trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-乙基甲磺酸酯；c）将所得的trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-乙基甲磺酸酯与2,3-二氯苯基哌嗪在酸性中和剂存在下反应，得到trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-氨基甲酸叔丁酯；d）将所得的trans 2-1-[4-(N-叔丁氧羰基)氨基]-环己基}-氨基甲酸叔丁酯在水盐酸/甲醇混合物中加热至40-100℃，得到trans N-4-2-[4-(2,3-二氯苯基)哌嗪-1-基]-乙基}-环己胺二盐酸盐一水合物。
• [EN] PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL<br/>[FR] PROCÉDÉ DE PRÉPARATION D'UN HCL D'ESTER D'ÉTHYLE D'ACIDE TRANS-4-AMINO-CYCLOHEXYL ACÉTIQUE
  申请人：RICHTER GEDEON NYRT

  公开号：WO2010070368A1

  公开（公告）日：2010-06-24

  The invention relates to a process for the preparation of trans 4-amino-cyclohexil ethyl acetate HCl wherein d) hydrogenating 4-nitrophenyl acetic acid in a protic solvent at a temperature between 40-500C in the presence of Pd/C under 0.1-0.6 bar overpressure, and e) further hydrogenating the 4-aminophenyl acetic acid obtained in situ in step a) at a temperature between 50-60 0C under 1-4 bar overpressures, then f) heating to reflux the 4-aminocyclohexil acetic acid obtained in step b) for 1-3 hours in hydrochloric ethanol, and if desired after removing the solvent acetonitrile was added to the residue obtained and distilled off.

  本发明涉及一种制备顺式4-氨基环己基乙酸乙酯盐酸盐的方法，其中d）在质子溶剂中在40-500℃温度下，在Pd/C存在下0.1-0.6巴过压下加氢4-硝基苯乙酸，然后e）在1-4巴过压下，在50-60℃温度下进一步加氢在步骤a）中得到的4-氨基苯乙酸，然后f）在盐酸乙醇中将步骤b）中得到的4-氨基环己基乙酸加热回流1-3小时，如果需要，去除溶剂后加入乙腈残留物并蒸馏。
• 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：Chemo Research, S.L.

  公开号：EP3057942B1

  公开（公告）日：2017-06-14