ethyl (E)-3-[2-(3'-(1-adamantyl)-4'-hydroxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoate | 1313053-16-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl (E)-3-[2-(3'-(1-adamantyl)-4'-hydroxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoate
• 英文别名: ethyl (E)-3-[2-[3-(1-adamantyl)-4-hydroxy-5-methoxyphenyl]pyrimidin-5-yl]prop-2-enoate
• CAS: 1313053-16-5
• 化学式: C₂₆H₃₀N₂O₄
• 分子量: 434.535
• InChiKey: GAVKPVNRLOCSFA-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  81.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl (E)-3-[2-(3'-(1-adamantyl)-4'-hydroxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 0.83h， 以92%的产率得到(E)-3-[2-(3'-(1-adamantyl)-4'-hydroxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoic acid
  参考文献：
  名称：

  [EN] THERAPEUTIC COMPOUNDS
  [FR] COMPOSÉS THÉRAPEUTIQUES

  摘要：

  该发明提供了如下所述的式I化合物或其盐。该发明还提供了包括式I化合物的药物组合物，制备式I化合物的方法，用于制备式I化合物的有用中间体以及利用式I化合物诱导凋亡或治疗癌症的治疗方法。

  公开号：

  WO2011079305A1
• 作为产物：
  描述：

  ethyl (E)-3-[2-(3'-(1-adamantyl)-4'-benzyloxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoate 在 三溴化硼 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以78%的产率得到ethyl (E)-3-[2-(3'-(1-adamantyl)-4'-hydroxy-5'-methoxyphenyl)-5-pyrimidinyl]-2-propenoate
  参考文献：
  名称：

  [EN] THERAPEUTIC COMPOUNDS
  [FR] COMPOSÉS THÉRAPEUTIQUES

  摘要：

  该发明提供了如下所述的式I化合物或其盐。该发明还提供了包括式I化合物的药物组合物，制备式I化合物的方法，用于制备式I化合物的有用中间体以及利用式I化合物诱导凋亡或治疗癌症的治疗方法。

  公开号：

  WO2011079305A1

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：Fontana Joseph A.

  公开号：US20130137699A1

  公开（公告）日：2013-05-30

  The invention provides compounds of formula I or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula I, intermediates useful for preparing compounds of formula I and therapeutic methods for inducing apoptosis or treating cancer using compounds of formula I.

  本发明提供了式I或其盐的化合物，如本文所述。本发明还提供了包含式I化合物的制药组合物，制备式I化合物的方法，用于制备式I化合物的中间体以及使用式I化合物诱导凋亡或治疗癌症的治疗方法。
• Internal donor structure for olefin polymerization catalysts and methods of making and using same
  申请人：W.R. Grace & Co.-Conn.

  公开号：US10144790B2

  公开（公告）日：2018-12-04

  The presently disclosed and claimed inventive concept(s) relates to solid catalyst components comprising titanium, magnesium, halogen and an internal electron donor compound having at least one ester group and at least one alkoxy group, and catalyst systems containing the catalyst solid components, organoaluminum compounds, and organosilicon compounds. The presently disclosed and claimed inventive concept(s) further relates to methods of making the catalyst components and the catalyst systems, and methods of polymerizing or copolymerizing alpha-olefins using the catalyst systems.

  本发明公开和要求的发明概念涉及固体催化剂组分，包括钛、镁、卤素和具有至少一个酯基和至少一个烷氧基的内部电子供体化合物，以及含有催化剂固体组分、有机铝化合物和有机硅化合物的催化剂体系。本公开和权利要求的发明概念进一步涉及制造催化剂组分和催化剂体系的方法，以及使用催化剂体系聚合或共聚α-烯烃的方法。
• Internal Donor Structure for Olefin Polymerization Catalysts and Methods of Making and Using Same
  申请人：Chang Main

  公开号：US20130137568A1

  公开（公告）日：2013-05-30

  The presently disclosed and claimed inventive concept(s) relates to solid catalyst components comprising titanium, magnesium, halogen and an internal electron donor compound having at least one ester group and at least one alkoxy group, and catalyst systems containing the catalyst solid components, organoaluminum compounds, and organosilicon compounds. The presently disclosed and claimed inventive concept(s) further relates to methods of making the catalyst components and the catalyst systems, and methods of polymerizing or copolymerizing alpha-olefins using the catalyst systems.
• NEW INTERNAL DONORS FOR ETHYLENE POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME II
  申请人：BASF CORPORATION

  公开号：US20130231447A1

  公开（公告）日：2013-09-05

  Solid catalyst components are disclosed including titanium, magnesium, halogen and an internal electron donor compound having at least one ester group and at least one alkoxy group, and catalyst systems containing the catalyst solid components, organoaluminum compounds, and organosilicon compounds. Further, methods of making the catalyst components and the catalyst systems are disclosed as well as methods of polymerizing or copolymerizing alpha-olefins using the catalyst systems.
• INTERNAL DONOR STRUCTURE FOR OLEFIN POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING SAME
  申请人：BASF Corporation

  公开号：US20140235805A1

  公开（公告）日：2014-08-21

  The presently disclosed and claimed inventive concept(s) relates to solid catalyst components comprising titanium, magnesium, halogen and an internal electron donor compound having at least one ester group and at least one alkoxy group, and catalyst systems containing the catalyst solid components, organoaluminum compounds, and organosilicon compounds. The presently disclosed and claimed inventive concept(s) further relates to methods of making the catalyst components and the catalyst systems, and methods of polymerizing or copolymerizing alpha-olefins using the catalyst systems.