5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-one | 1243544-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-one
• 英文别名: 5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-benzofuran-3(2H)-one；5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3-one
• CAS: 1243544-16-2
• 化学式: C₂₅H₃₂N₂O₃
• 分子量: 408.541
• InChiKey: QCPSLPKNVHTANA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  sodium t-butanolate 、 邻二甲苯 、 5-(1,4-diazepan-1-yl)-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-one 在 二(三叔丁基膦)钯 氩 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 水 为溶剂， 反应 12.0h， 以to give 240 mg of the title compound (yield: 45%)的产率得到5-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2,2,4,6,7-pentamethyl-1-benzofuran-3(2H)-one
  参考文献：
  名称：

  Benzofuran derivatives

  摘要：

  本发明提供了一种由以下式（I）表示的化合物：其中：环A代表可选取代的哌嗪环、可选取代的吗啉环或可选取代的溴代哌嗪环；R1和R2相同或不同，分别代表氢原子或可选取代的较低烷基；R3和R4相同或不同，分别代表氢原子或卤代或非卤代的较低烷基；R3至R7相同或不同，分别代表氢原子、羟基、可选取代的较低烷基、可选取代的较低烯基、可选取代的较低烷氧基、可选取代的环烷基、可选取代的芳基、可选取代的芳香杂环环、可选取代的氨基或酰基；代表单键或双键，其中当R2和R3分别相邻的碳原子形成双键时，R2和R3不存在，且不存在R1至R7全部为氢原子的情况，R1和R2可以与相邻碳原子形成环；或其盐。

  公开号：

  US08957069B2

文献信息

• BENZOFURAN DERIVATIVES
  申请人：Tsukamoto Tetsuya

  公开号：US20120046277A1

  公开（公告）日：2012-02-23

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted bromopiperazine ring; R 1 and R 2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R 3 and R 4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R 3 to R 7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycloakyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, wherein R 2 and R 3 do not exist when carbon atoms respectively adjacent to R 2 : and R 3 form a double bond, and there is no case where all of R 1 to R 7 are hydrogen atoms, and R 1 and R 2 ; may form a ring together with an adjacent carbon atom; or a salt thereof.

  本发明提供了以下式(I)所表示的化合物：其中：环A表示可选取代的哌嗪环、可选取代的吗啡环或可选取代的溴代哌嗪环；R1和R2相同或不同，表示氢原子或可选取代的较低烷基；R3和R4相同或不同，表示氢原子或卤代或非卤代的较低烷基；R3到R7相同或不同，表示氢原子、羟基、可选取代的较低烷基、可选取代的较低烯基、可选取代的较低烷氧基、可选取代的环烷基、可选取代的芳基、可选取代的芳香族杂环环、可选取代的氨基或酰基；表示单键或双键，其中当R2和R3分别相邻的碳原子形成双键时，R2和R3不存在，且不存在R1到R7全为氢原子的情况，R1和R2可以与相邻碳原子共同形成环；或其盐。
• US8288390B2
  申请人：——

  公开号：US8288390B2

  公开（公告）日：2012-10-16
• US8957069B2
  申请人：——

  公开号：US8957069B2

  公开（公告）日：2015-02-17
• [EN] BENZOFURAN DERIVATIVES<br/>[FR] DÉRIVÉS DE LA COUMARONE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010104194A1

  公开（公告）日：2010-09-16

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted bomopiperazine ring; R1 and R2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R3 and R4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R3 to R7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycIoaJkyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, wherein R2 and R3 do not exist when carbon atoms respectively adjacent to R2: and R3 form a double bond, and there is no case where all of R1 to R7 are hydrogen atoms, and R1 and R2; may form a ring together with an adjacent carbon atom; or a salt thereof.
• Benzofuran derivatives
  申请人：Tsukamoto Tetsuya

  公开号：US20100234357A1

  公开（公告）日：2010-09-16

  The present invention provides a compound represented by the following formula (I): wherein: Ring A represents an optionally substituted piperazine ring, an optionally substituted morpholine ring, or an optionally substituted homopiperazine ring; R 1 and R 2 are the same or different from each other, and represent a hydrogen atom or optionally substituted lower alkyl; R 3 and R 4 are the same or different from each other, and represent a hydrogen atom or halogenated or non-halogenated lower alkyl; R 5 to R 7 are the same or different from each other, and represent a hydrogen atom, hydroxy, optionally substituted lower alkyl, optionally substituted lower alkenyl, optionally substituted lower alkoxy, optionally substituted cycloalkyl, optionally substituted aryl, an optionally substituted aromatic heterocyclic ring, optionally substituted amino, or acyl; and represents a single bond or double bond, or a salt thereof.

  本发明提供了一种由以下式（I）表示的化合物： 其中： 环A代表可选择地取代的哌嗪环、可选择地取代的吗啉环或可选择地取代的同环丙二胺环； R1和R2彼此相同或不同，代表氢原子或可选择地取代的较低烷基； R3和R4彼此相同或不同，代表氢原子或卤代或非卤代的较低烷基； R5到R7彼此相同或不同，代表氢原子、羟基、可选择地取代的较低烷基、可选择地取代的较低烯基、可选择地取代的较低烷氧基、可选择地取代的环烷基、可选择地取代的芳基、可选择地取代的芳香杂环、可选择地取代的氨基或酰基；和 代表单键或双键，或其盐。