N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}acetam ide | 882660-40-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}acetam ide
• CAS: 882660-40-4
• 化学式: C₁₆H₂₉N₃O
• 分子量: 279.426
• InChiKey: RKDOUGDECLHTQZ-WKILWMFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  35.58
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}acetam ide 在 对甲苯磺酸 作用下， 以 水 为溶剂， 反应 6.0h， 以91%的产率得到trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexanamine
  参考文献：
  名称：

  Process for manufacturing dihydropteridinones and intermediates thereof

  摘要：

  本发明涉及一种改进的制备一般式（12）的二氢叶酸酮及其中间体的方法，其中基团R1、R2、R3、R4和R5的含义如权利要求和说明书中所述。

  公开号：

  US20120238754A1
• 作为产物：
  描述：

  N-acetyl-aminocyclohexanone 、 1-环丙甲基哌嗪 在 platinum(IV) oxide 、 氢气 作用下， 以 甲苯 、 乙醇 为溶剂， 50.0 ℃ 、344.75 kPa 条件下， 以56.1%的产率得到N-{trans-4-[4-(Cyclopropylmethyl)-1-piperazinyl]cyclohexyl}acetam ide
  参考文献：
  名称：

  Process for manufacturing dihydropteridinones and intermediates thereof

  摘要：

  本发明涉及一种改进的制备一般式（12）的二氢叶酸酮及其中间体的方法，其中基团R1、R2、R3、R4和R5的含义如权利要求和说明书中所述。

  公开号：

  US20120238754A1

文献信息

• Process for the manufacture of dihydropteridinones
  申请人：Linz Guenter

  公开号：US20080177066A1

  公开（公告）日：2008-07-24

  Disclosed are processes for preparing dihydropteridinones of general formula (I) wherein the groups L and R 1 -R 5 have the meanings given in the claims and in the specification.

  本发明揭示了制备通式（I）中L和R1-R5基团具有声明和说明书中所给含义的二氢喹嗪酮的过程。
• PROCESS FOR MANUFACTURING DIHYDROPTERIDINONES AND INTERMEDIATES THEREOF
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2627656B1

  公开（公告）日：2014-08-20
• SPECIFIC SALT, ANHYDROUS AND CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE
  申请人：Linz Guenter

  公开号：US20070203146A1

  公开（公告）日：2007-08-30

  The present invention relates to a specific salt of a dihydropteridione derivative, namely the trihydrochloride salt of the compound N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide, to its crystallisation in the form of an hydrate with water, to a process for the manufacture thereof, and to the use thereof in a pharmaceutical composition.
• CRYSTALLINE FORM OF A DIHYDROPTERIDIONE DERIVATIVE
  申请人：Linz Guenter

  公开号：US20100280037A1

  公开（公告）日：2010-11-04

  The present invention relates to a crystalline form a dihydropteridione derivative, namely a crystalline form of the free base N-[trans-4-[4-(cyclopropylmethyl)-1-piperazinyl]cyclohexyl]-4-[[(7R)-7-ethyl-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)-6-oxo-2-pteridinyl]amino]-3-methoxy-benzamide, to a process for the manufacture thereof, and to the use thereof in a pharmaceutical composition.
• Method for Preparing Volasertib and Intermediate thereof
  申请人：SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD.

  公开号：US20170073350A1

  公开（公告）日：2017-03-16

  Disclosed is a method for preparing Volasertib (I), comprising the following steps: an intermediate 2-amino-7-ethyl-7,8-dihydro-5-methyl-8-isopropyl-(7R)-6(5H)-pteridinone (II) is nucleophilically substituted with an intermediate N-[trans-4-[4-(cylopropylmethyl)-1-piperazinyl]cyclohexyl]-4-halo-3-methoxylbenzamide (III), so as to prepare Volasertib (I). The preparation method has a simple process, mild conditions and few side effects, which meets the requirements for industrial enlargement. In addition, also disclosed are an intermediate 2-amino-7-ethyl-7,8-dihydro-5-methyl-8-isopropyl-(7R)-6(5H)-pteridinone (II) and an intermediate N-[trans-4-[4-(cylopropylmethyl)-1-piperazinyl]cyclohexyl]-4-halo-3-methoxylbenza-mide (III) of Volasertib and the preparation methods thereof.