N-[(2S)-3-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide | 1280665-34-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: N-[(2S)-3-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide
• 英文别名: N-[(2S)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methoxypropyl]-7-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide
• CAS: 1280665-34-0
• 化学式: C₃₃H₄₈N₈O₄
• 分子量: 620.795
• InChiKey: OCEYPTDXYPMLQX-WNCULLNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  tert-butyl 4-[(2S)-3-(dibenzylamino)-2-methoxy-propyl]piperazine-1-carboxylate 在 palladium 10% on activated carbon 盐酸 、 氢气 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 27.0h， 生成 N-[(2S)-3-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide
  参考文献：
  名称：

  DIHYDROPTERIDINONE DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF

  摘要：

  二氢吡啶酮衍生物、其制备方法及药用途被揭示。特别是，根据通用式(I)表示的新二氢吡啶酮衍生物，其中通用式(I)的每个取代基如描述中所定义，它们的制备过程，包含所述衍生物的药物组合物以及它们作为治疗剂的用途，特别是作为Plk激酶抑制剂的用途被揭示。

  公开号：

  US20120184543A1
• 作为试剂：
  描述：

  7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxylic acid 、 2-(1H-Benzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 、 (2S)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propan-1-amine 、 disodium;carbonate 在 二氯甲烷 、 氯化钠 、 Sodium sulfate-III 、 silica gel 、 N-[(2S)-3-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以to obtain the title compound N-[(2S)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide 36 (40 mg, yield: 38.0%) as a white solid的产率得到N-[(2S)-3-[4-(Cyclopropylmethyl)piperazin-1-yl]-2-methoxy-propyl]-7-[[(7R)-7-ethyl-8-isopropyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-2,3-dihydrobenzofuran-4-carboxamide
  参考文献：
  名称：

  Dihydropteridinone derivatives, preparation process and pharmaceutical use thereof

  摘要：

  本发明公开了二氢吡啶酮衍生物、其制备方法和药用。具体而言，公开了由通式（I）表示的新的二氢吡啶酮衍生物，其中通式（I）的每个取代基如描述中所定义，它们的制备方法，包含所述衍生物的药物组合物以及它们作为治疗剂的用途，特别是作为Plk激酶抑制剂的用途。

  公开号：

  US08691822B2

文献信息

• [EN] METHOD FOR PRODUCING 1-HEXENE<br/>[FR] PROCÉDÉ DE PRODUCTION D'1-HEXÈNE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012133937A1

  公开（公告）日：2012-10-04

  Disclosed is a method for producing 1-hexene that is capable of reducing the amount of by-product polymers when 1-hexene is produced through the trimerization reaction of ethylene. The method for producing 1-hexene comprises the following steps 1 and 2: step 1: the step of preparing a catalytic component by bringing a transition metal complex represented by any one of formulae (1-1) to (1-3) into contact with a specific organic aluminum compound in the absence of ethylene; and step 2: the step of trimerizing ethylene in the presence of a catalyst obtainable by bringing the catalytic component obtained in step 1 into contact with a specific boron compound.

  公开了一种生产1-己烯的方法，该方法能够在通过乙烯的三聚反应生产1-己烯时减少副产物聚合物的数量。生产1-己烯的方法包括以下步骤1和2：步骤1：通过将由式（1-1）到（1-3）中的任一表示的过渡金属配合物与特定有机铝化合物接触而制备催化组分，在没有乙烯的情况下；步骤2：在将在步骤1中获得的催化组分与特定硼化合物接触而获得的催化剂存在下，三聚乙烯。
• [EN] METHOD FOR PRODUCING THE TRANSITION METAL ION COMPLEX, CATALYST FOR TRIMERIZATION, AND METHOD FOR PRODUCING 1-HEXENE<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPLEXE ION MÉTAL DE TRANSITION, CATALYSEUR DE TRIMÉRISATION, ET PROCÉDÉ DE PRODUCTION DE 1-HEXÈNE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012133929A1

  公开（公告）日：2012-10-04

  An object of the present invention is to provide a silicon-bridged Cp-Ar transition metal complex that serves as a catalytic component capable of efficiently and highly selectively producing 1-hexene through the trimerization reaction of ethylene. The present invention provides a transition metal ion complex represented by any of formulae (1-1) to (1-3), etc.: wherein M represents a transition metal atom of Group 4 of the Periodic Table of the Elements; A represents a counter anion; R1, R2, R3, R4, R5, R6, R7, R8, R9, R12, R13, R14, R15, R16, R17, R18, R19, R20, R21, X1 and X2 each independently represent a hydrogen atom or the like; R10 and R11 each independently represent a hydrogen atom or the like.

  本发明的一个目的是提供一种硅桥联的Cp-Ar过渡金属配合物，作为一种催化组分，能够通过乙烯三聚反应高效且高选择性地产生1-己烯。本发明提供了一种过渡金属离子配合物，其表示为任一化学式（1-1）至（1-3）等：其中M表示元素周期表第4族的过渡金属原子；A表示反离子；R1、R2、R3、R4、R5、R6、R7、R8、R9、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21、X1和X2每个独立地表示氢原子或类似物；R10和R11每个独立地表示氢原子或类似物。
• [EN] METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2)<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPLEXE MÉTAL DE TRANSITION, CATALYSEUR DE TRIMÉRISATION, PROCÉDÉ DE PRODUCTION DE 1-HEXÈNE, PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ DE CYCLOPENTADIÈNE SUBSTITUÉ (2)
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012133925A1

  公开（公告）日：2012-10-04

  An object of the present invention is to provide a silicon-bridged Cp-Ar transition metal complex that serves as a catalytic component capable of efficiently and highly selectively producing 1-hexene through the trimerization reaction of ethylene. A transition metal complex represented by formula (1), etc. wherein M represents a transition metal atom of Group 4 of the Periodic Table of the Elements; X1, X2, X3, R1, R2, R3, R4, R5, R6, R7, R8, and R9 each independently represent a hydrogen atom, a halogen atom, an alkyl group having 1 to 20 carbon atoms which may have a halogen atom, an alkoxy group having 1 to 20 carbon atoms which may have a halogen atom, an aryl group having 6 to 20 carbon atoms which may have a halogen atom, an aryloxy group having 6 to 20 carbon atoms which may have a halogen atom, an aralkyl group having 7 to 20 carbon atoms which may have a halogen atom, an aralkyloxy group having 7 to 20 carbon atoms which may have a halogen atom, etc.

  本发明的目的是提供一种硅桥联的Cp-Ar过渡金属配合物，作为催化组分，能够通过乙烯三聚反应高效、高选择性地产生1-己烯。其中，M代表元素周期表第4族的过渡金属原子；X1、X2、X3、R1、R2、R3、R4、R5、R6、R7、R8和R9各自独立地代表氢原子、卤素原子、具有1至20个碳原子的烷基基团，可能带有卤素原子，具有1至20个碳原子的烷氧基团，可能带有卤素原子，具有6至20个碳原子的芳基基团，可能带有卤素原子，具有6至20个碳原子的芳氧基团，可能带有卤素原子，具有7至20个碳原子的芳基烷基基团，可能带有卤素原子，具有7至20个碳原子的芳基烷氧基团，可能带有卤素原子等。
• [EN] METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3)<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPLEXE MÉTAL DE TRANSITION, CATALYSEUR DE TRIMÉRISATION, PROCÉDÉ DE PRODUCTION DE 1-HEXÈNE, PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ DE CYCLOPENTADIÈNE SUBSTITUÉ (3)
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012133935A1

  公开（公告）日：2012-10-04

  An object of the present invention is to provide a silicon-bridged Cp-Ar transition metal complex that serves as a catalytic component capable of efficiently and highly selectively producing 1-hexene through the trimerization reaction of ethylene. The present invention provides a transition metal complex represented by the following general formula (1), etc.: wherein M1 represents a transition metal atom of Group 4 of the Periodic Table of the Elements; X1, X2, X3, R1, R2, R3 and R4 each independently represent a hydrogen atom, a halogen atom, an alkyl group having 1 to 20 carbon atoms which may have a halogen atom, an alkoxy group having 1 to 20 carbon atoms which may have a halogen atom, an aryl group having 6 to 20 carbon atoms which may have a halogen atom, an aryloxy group having 6 to 20 carbon atoms which may have a halogen atom, an aralkyl group having 7 to 20 carbon atoms which may have a halogen atom, an aralkyloxy group having 7 to 20 carbon atoms which may have a halogen atom, or the like.

  本发明的一个目的是提供一种硅桥联的Cp-Ar过渡金属配合物，作为一种催化组分，能够通过乙烯三聚反应高效、高选择性地产生1-己烯。本发明提供了一种由下述通用式（1）表示的过渡金属配合物等：其中M1代表元素周期表第4族的过渡金属原子；X1、X2、X3、R1、R2、R3和R4各自独立地表示氢原子、卤素原子、具有1至20个碳原子的烷基基团，可能含有卤素原子，具有1至20个碳原子的烷氧基团，可能含有卤素原子，具有6至20个碳原子的芳基基团，可能含有卤素原子，具有6至20个碳原子的芳氧基团，可能含有卤素原子，具有7至20个碳原子的芳基烷基基团，可能含有卤素原子，具有7至20个碳原子的芳基烷氧基团，可能含有卤素原子，或类似物。
• [EN] METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1)<br/>[FR] PROCÉDÉ DE PRODUCTION D'UN COMPLEXE MÉTAL DE TRANSITION, CATALYSEUR DE TRIMÉRISATION, PROCÉDÉ DE PRODUCTION DE 1-HEXÈNE, PROCÉDÉ DE PRODUCTION D'UN COMPOSÉ DE CYCLOPENTADIÈNE SUBSTITUÉ (1)
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2012133924A1

  公开（公告）日：2012-10-04

  An object of the present invention is to provide a silicon-bridged Cp-Ar transition metal complex that serves as a catalytic component capable of efficiently and highly selectively producing 1-hexene through the trimerization reaction of ethylene. The present invention provides a transition metal complex represented by formula (1): wherein M1 represents a transition metal atom of Group 4 of the Periodic Table of the Elements; X1, X2, X3, R1, R2, R3 and R4 each independently represent a hydrogen atom or the like; Ar1 is an aryl group represented by formula (2), Ar2 is an aryl group represented by formula (3) and Ar3 is an aryl group represented by formula (4) (not all of the three aryl groups Ar1, Ar2 and Ar3 are the same at the same time), R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R 15, R16, R17, R18 and R19 each independently represent a hydrogen atom or the like.

  本发明的一个目的是提供一种硅桥联的Cp-Ar过渡金属配合物，作为一种催化组分，能够通过乙烯三聚反应高效且高选择性地产生1-己烯。本发明提供了一个由公式(1)表示的过渡金属配合物：其中M1代表元素周期表第4族的过渡金属原子；X1、X2、X3、R1、R2、R3和R4分别独立地代表氢原子或类似物；Ar1是由公式(2)表示的芳基团，Ar2是由公式(3)表示的芳基团，Ar3是由公式(4)表示的芳基团（三个芳基团Ar1、Ar2和Ar3不同时相同时），R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18和R19分别独立地代表氢原子或类似物。