Pyridin-1-ium-3-ylmethanesulfonate | 38588-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Pyridin-1-ium-3-ylmethanesulfonate
• 英文别名: pyridin-1-ium-3-ylmethanesulfonate
• CAS: 38588-51-1
• 化学式: C6H7NO3S
• 分子量: 173.19
• InChiKey: HXKHPPFJWUHXNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Process for production of delta-9- tetrahydrocannabinol
  申请人：Burdick C. David

  公开号：US20070093665A1

  公开（公告）日：2007-04-26

  The present invention relates to a process for preparation of a delta-9-tetrahydrocannabinol compound or derivative thereof involving treating a first intermediate compound with an organoaluminum-based Lewis acid catalyst, under conditions effective to produce the delta-9-tetrahydrocannabinol compound or derivative thereof. Another aspect of the present invention relates to a process for preparation of a cannabidiol or cannabidiolate compound involving reacting a first starting compound with a second starting compound in the presence of a metal triflate catalyst, under conditions effective to form the cannabidiol or cannabidiolate compound. The present invention also relates to a compound of the formula: where R 8 , R 9 , and R 10 are the same or different and independently selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, or halo, with R 1 , R 2 , and R 3 defined herein.

  本发明涉及一种制备Δ-9-四氢大麻酚化合物或其衍生物的方法，涉及将第一中间化合物与基于有机铝的Lewis酸催化剂处理，在有效条件下产生Δ-9-四氢大麻酚化合物或其衍生物。本发明的另一个方面涉及一种制备大麻二酚或大麻二酚盐化合物的方法，涉及在金属三氟甲磺酸盐催化剂存在下，将第一起始化合物与第二起始化合物反应，在有效条件下形成大麻二酚或大麻二酚盐化合物。本发明还涉及一个化合物，其化学式为：其中R8、R9和R10相同或不同，并且独立地选自H、取代或未取代的烷基、取代或未取代的芳基、取代或未取代的杂环芳基或卤素，其中R1、R2和R3在此定义。
• Processes for the production of cannabidiol derivatives and intermediates thereof
  申请人：Albany Molecular Research, Inc.

  公开号：EP2578561A1

  公开（公告）日：2013-04-10

  This invention relates to a process for the preparation of a product compound of the formula: wherein: R1 is H, substituted or unsubstituted alkyl, carboxylic ester, or acyl; R2 is H, OH, protected hydroxyl, substituted or unsubstituted alkyl, alkenyl, alkynyl, acyl, aryl, or heteroaryl; R3 is H, substituted or unsubstituted alkyl, carboxylic ester, or acyl; R4 is H, substituted or unsubstituted alkyl, silyl, hetero-substituted or unsubstituted acyl, alkylsulfonyl, arylsulfonyl, alkylphosphoryl, or arylphosphoryl; and R6 is H, substituted or unsubstituted alkyl, silyl, hetero-substituted or unsubstituted acyl, alkylsulfonyl, arylsulfonyl, alkylphosphoryl, or arylphosphoryl.

  本发明涉及一种制备公式化合物的过程：其中：R1为氢，取代或未取代烷基，羧酸酯或酰基；R2为氢，羟基，保护羟基，取代或未取代烷基，烯基，炔基，酰基，芳基或杂环芳基；R3为氢，取代或未取代烷基，羧酸酯或酰基；R4为氢，取代或未取代烷基，硅基，杂原子取代或未取代酰基，烷基磺酰基，芳基磺酰基，烷基磷酰基或芳基磷酰基；R6为氢，取代或未取代烷基，硅基，杂原子取代或未取代酰基，烷基磺酰基，芳基磺酰基，烷基磷酰基或芳基磷酰基。
• Sulfonyl esters of tetrahydrocannabinol and derivatives thereof
  申请人：Albany Molecular Research, Inc.

  公开号：EP2578577A1

  公开（公告）日：2013-04-10

  This invention relates to a compound of the formula: wherein: R1 is H, substituted or unsubstituted alkyl, carboxylic ester, or acyl; R2 is H, OH, protected hydroxyl, substituted or unsubstituted alkyl, alkenyl, alkynyl, acyl, aryl, or heteroaryl; R3 is H, substituted or unsubstituted alkyl, carboxylic ester, or acyl; R8, R9, and R10 are the same or different and independently selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, or halo; and R8 and R9; R8 and R10; or R9 and R10; or R8, R9, and R10 can together result in the formation of a cyclic moiety.

  本发明涉及一种化合物，其结构式为：其中：R1为H、取代或未取代的烷基、羧酸酯或酰基；R2为H、OH、保护的羟基、取代或未取代的烷基、烯基、炔基、酰基、芳基或杂环芳基；R3为H、取代或未取代的烷基、羧酸酯或酰基；R8、R9和R10相同或不同且独立地选自以下组中的一种：H、取代或未取代的烷基、取代或未取代的芳基、取代或未取代的杂环芳基或卤素；且R8和R9、R8和R10、或R9和R10；或R8、R9和R10可以共同形成环状基团。
• PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL
  申请人：BURDICK David C.

  公开号：US20100069651A1

  公开（公告）日：2010-03-18

  The present invention relates to a process for preparation of a delta-9-tetrahydrocannabinol compound or derivative thereof involving treating a first intermediate compound with an organoaluminum-based Lewis acid catalyst, under conditions effective to produce the delta-9-tetrahydrocannabinol compound or derivative thereof. Another aspect of the present invention relates to a process for preparation of a cannabidiol or cannabidiolate compound involving reacting a first starting compound with a second starting compound in the presence of a metal triflate catalyst, under conditions effective to form the cannabidiol or cannabidiolate compound. The present invention also relates to a compound of the formula: where R 8 , R 9 , and R 10 are the same or different and independently selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted heteroaryl, or halo, with R 1 , R 2 , and R 3 defined herein.

  本发明涉及一种制备δ-9-四氢大麻酚化合物或其衍生物的过程，包括将第一中间化合物与基于有机铝的Lewis酸催化剂处理，在有效条件下产生δ-9-四氢大麻酚化合物或其衍生物。本发明的另一个方面涉及一种制备大麻二酚或大麻二酚盐化合物的过程，包括在金属三氟甲烷酸盐催化剂存在下，将第一起始化合物与第二起始化合物反应，在有效条件下形成大麻二酚或大麻二酚盐化合物。本发明还涉及一种化合物的公式：其中R8、R9和R10相同或不同，且独立地从H、取代或未取代的烷基、取代或未取代的芳基、取代或未取代的杂环芳基或卤素中选择，R1、R2和R3在此定义。
• Verwendung von Aryl-, Heteroaryl- und Benzylsulfonamidocarbonsäuren, -carbonsäureestern, -carbonsäureamiden und -carbonitrilen oder deren Salze zur Steigerung der Stresstoleranz in Pflanzen
  申请人：Bayer CropScience AG

  公开号：EP2471363A1

  公开（公告）日：2012-07-04

  Verwendung von Aryl-, Heteroaryl- und Benzylsulfonamidocarbonsäuren, - carbonsäureestern, -carbonsäureamiden und -carbonitrilen oder deren Salze zur Steigerung der Stresstoleranz in Pflanzen. Die Erfindung betrifft die Verwendung von Aryl-, Heteroaryl- und Benzylsulfonamidocarbonsäuren, -carbonsäureestern, -carbonsäureamiden und -carbonitrilen oder deren Salze der allgemeinen Formel (I) in welcher die jeweiligen Substituenten die in der Beschreibung angegebenen Bedeutungen haben, zur Steigerung der Stresstoleranz in Pflanzen gegenüber abiotischem Stress, sowie zur Steigerung des Pflanzenwachstums und/oder zur Erhöhung des Pflanzenertrags.

  芳基、杂芳基和苄基磺酰胺二羧酸、-羧酸酯、-羧酸酰胺和-腈或其盐用于提高植物的抗逆性。 本发明涉及通式 (I) 的芳基、杂芳基和苄基磺酰胺二羧酸、-羧酸酯、-羧酸酰胺和-甲腈或其盐的用途 其中各取代基的含义在描述中给出，用于提高植物对非生物性胁迫的耐受性，以及促进植物生长和/或提高植物产量。