N,N-4-oxocyclohexyl-n-propyl-amine | 104618-25-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N,N-4-oxocyclohexyl-n-propyl-amine
• 英文别名: N,N-4-oxocyclohexyl-n-propylamine；4-n-propylamino-cyclohexanone；Cyclohexanone, 4-(propylamino)-；4-(propylamino)cyclohexan-1-one
• CAS: 104618-25-9
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: KGYWGNKOKDOANR-UHFFFAOYSA-N

物化性质

• 沸点：
  246.4±33.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• 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：
  2

反应信息

• 作为反应物：
  描述：

  N,N-4-oxocyclohexyl-n-propyl-amine 、 氰胺 在 四氢吡咯 、 sulfur 作用下， 以 异丙醇 为溶剂， 以73%的产率得到(±)-普拉克索
  参考文献：
  名称：

  METHOD OF OBTAINING 2-AMINO-6-ALKYL-AMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOLES

  摘要：

  公开号：

  EP1783120B1
• 作为产物：
  描述：

  4-n-propylaminocyclohexanone ethylene ketal oxalate 在 盐酸 、 水 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以99%的产率得到N,N-4-oxocyclohexyl-n-propyl-amine
  参考文献：
  名称：

  METHOD OF OBTAINING 2-AMINO-6-ALKYL-AMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOLES

  摘要：

  公开号：

  EP1783120B1

文献信息

• PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：KANTO DENKA KOGYO CO., LTD.

  公开号：US20190169107A1

  公开（公告）日：2019-06-06

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种简单的生产过程，使用单羟基全氟烷作为起始物质来制备全氟烷基化合物，该全氟烷基化合物是有机电子材料、药物、农药、功能性聚合物材料等的重要中间体。使用单羟基全氟烷与碱反应，再与羰基化合物反应，可以产生具有全氟烷基的醇。例如，可以将氢氧化钾与三氟甲烷相互作用，并诱导与羰基化合物反应，以产生具有三氟甲基基团的醇。
• [EN] PROCESS FOR THE PREPARATION OF 2-AMINO-4,5,6,7-TETRAHYDRO-6-AMINOBENZOTHIAOLES FROM CYCLOHEXANES AND CYCLOHEXANONES AS INTERMEDIATES<br/>[FR] PROCEDE DE PREPARATION DE 2-AMINO-4,5,6,7-TETRAHYDRO-6-AMINOBENZOTHIAOLES A PARTIR DE CYCLOHEXANES ET DE CYCLOHEXANONES EN TANT QU'INTERMEDIAIRES
  申请人：GENERICS UK LTD

  公开号：WO2004026850A1

  公开（公告）日：2004-04-01

  The present invention relates to processes for the preparation of 2-amino-4,5,6,7-tetrahydro-6-aminobenzothiazoles (5a) from cyclohexanes (2a) and cyclohexanones (3a) as intermediate.

  本发明涉及从环己烷（2a）和环己酮（3a）中间体制备2-氨基-4,5,6,7-四氢-6-氨基苯并噻唑（5a）的过程。
• Process for the preparation of 2-amino-4,5,6,7-tetrahydro-6-aminobenzothiazoles from cyclohexanes and cyclohexanones as intermediates
  申请人：Gupta Kumar Ashwini

  公开号：US20060106224A1

  公开（公告）日：2006-05-18

  The present invention relates to processes for the preparation of 2-amino-4,5,6,7-tetrahydro-6-aminobenzothiazoles (5a) from cyclohexanes (2a) and cyclohexanones (3a) as intermediate.

  本发明涉及从环己烷（2a）和环己酮（3a）中间体制备2-氨基-4,5,6,7-四氢-6-氨基苯并噻唑（5a）的过程。
• Method of obtaining 2-amino-6-alkyl-amino-4,5,6,7- tetrahydro-benzothiazoles
  申请人：Coca Pascual Gustavo

  公开号：US20070161798A1

  公开（公告）日：2007-07-12

  The present invention relates to a process for preparing 2-amino-6-alkyl-amino-4,5,6,7-tetrahydrobenzothiazoles (I) wherein the asterisk (*) represents an asymmetric carbon and R 1 is C 1 -C 6 alkyl; their enantiomers or mixtures thereof, their solvates, hydrates or pharmaceutically acceptable salts, comprising: (a) reacting a compound (II) with a secondary amine, optionally in the presence of an acid and a solvent 1, to form an enamine; (b) optionally removing said acid and said solvent 1, and then reacting said enamine with sulfur in the presence of a solvent 2; and (c) reacting the previously obtained compound with cyanamide to obtain the compound (I). Pramipexole, a compound with dopamine D-2 agonist activity, is among the compounds (I) and is useful for the treatment of Parkinson's disease and schizophrenia.

  本发明涉及一种制备2-氨基-6-烷基氨基-4,5,6,7-四氢苯并噻唑(I)的过程，其中星号(*)代表一个不对称碳，R1是C1-C6烷基；它们的对映体或其混合物，它们的溶剂化物，水合物或药学上可接受的盐，包括：(a)将化合物(II)与二级胺反应，可选地在酸和溶剂1的存在下，形成恩酰胺；(b)可选地除去所述酸和所述溶剂1，然后在溶剂2的存在下将所述恩酰胺与硫反应；(c)将先前获得的化合物与氰胺反应以获得化合物(I)。普拉米柏索尔是化合物(I)之一，具有多巴胺D-2激动剂活性，可用于治疗帕金森病和精神分裂症。
• METHOD OF OBTAINING 2-AMINO-6-ALKYL-AMINO-4,5,6,7- TETRAHYDROBENZOTHIAZOLES
  申请人：Pascual Coca Gustavo

  公开号：US20100063324A1

  公开（公告）日：2010-03-11

  The present invention relates to a process for preparing 2-amino-6-alkyl-amino-4,5,6,7-tetrahydrobenzothiazoles (I) wherein the asterisk (*) represents an asymmetric carbon and R 1 is C 1 -C 6 alkyl; their enantiomers or mixtures thereof, their solvates, hydrates or pharmaceutically acceptable salts, comprising: (a) reacting a compound (II) with a secondary amine, optionally in the presence of an acid and a solvent 1, to form an enamine; (b) optionally removing said acid and said solvent 1, and then reacting said enamine with sulfur in the presence of a solvent 2; and (c) reacting the previously obtained compound with cyanamide to obtain the compound (I). Pramipexole, a compound with dopamine D-2 agonist activity, is among the compounds (I) and is useful for the treatment of Parkinson's disease and schizophrenia.

  本发明涉及一种制备2-氨基-6-烷基氨基-4,5,6,7-四氢苯并噻唑(I)的方法，其中星号(*)代表一个不对称的碳原子，R1是C1-C6烷基；它们的对映异构体或其混合物，它们的溶剂化物，水合物或药学上可接受的盐，包括：(a)将化合物(II)与二级胺反应，可选地在酸和溶剂1的存在下，形成烯胺；(b)可选地去除所述酸和所述溶剂1，然后在溶剂2的存在下将所述烯胺与硫反应；以及(c)将先前获得的化合物与氰胺反应以获得化合物(I)。普拉米柏索尔是化合物(I)之一，具有多巴胺D-2激动剂活性，可用于治疗帕金森病和精神分裂症。