1-[2-(5-bromopyridin-2-yloxy)ethyl]azepane

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1-[2-(5-bromopyridin-2-yloxy)ethyl]azepane
• 英文别名: 1-[2-(5-bromopyridin-2-yl)oxyethyl]azepane
• 化学式: C₁₃H₁₉BrN₂O
• 分子量: 299.211
• InChiKey: OMJLJNGVGQPJTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  25.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenylamine 、 1-[2-(5-bromopyridin-2-yloxy)ethyl]azepane 、 [6-(2-Azepan-1-ylethoxy)pyridin-3-yl][5-methoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)phenyl]amine 以to provide the title compound (94 mg)的产率得到6-{2-[6-(2-azepan-1-ylethoxy)pyridin-3-ylamino]-4-hydroxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol
  参考文献：
  名称：

  Selective Estrogen Receptor Modulator

  摘要：

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。

  公开号：

  US20120004315A1
• 作为产物：
  描述：

  2,5-二溴吡啶 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 5.5h， 生成 1-[2-(5-bromopyridin-2-yloxy)ethyl]azepane
  参考文献：
  名称：

  Selective estrogen receptor modulators

  摘要：

  公开号：

  EP1577288B1

文献信息

• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATOR
  申请人：Hamaoka Shinichi

  公开号：US20090325930A1

  公开（公告）日：2009-12-31

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; (I-1) formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了一种由以下式（I）表示的化合物；[其中，T表示单键，C1-C4烷基，可以有取代基等；（I-1）式（I-1）表示单键或双键；A表示单键，双价的5-至14-成员杂环基，可以有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基等，可以与5-至6-成员环缩合，可以有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R′表示1至4个独立的氢原子等；R″表示1至4个独立的氢原子等]或其盐，或其水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATORS
  申请人：Eisai Co., Ltd.

  公开号：EP1577288A1

  公开（公告）日：2005-09-21

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; Ra and Rb are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R' represents 1 to 4 independent hydrogen atoms and the like; and R" represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了由下式（I）代表的化合物； [其中 T 代表单键、可能具有取代基的 C1-C4 亚烷基等； 式（I-1）代表单键或双键；A 代表单键、可具有取代基等的二价 5 至 14 元杂环基团；Y 代表单键等；Z 代表亚甲基等；环 G 代表可与 5 至 6 元环缩合且可具有杂原子的亚苯基等；Ra和Rb彼此相同或不同，代表氢原子等；W代表单键等；R'代表1至4个独立氢原子等；R "代表1至4个独立氢原子等]或其盐或其水合物。
• US7612114B2
  申请人：——

  公开号：US7612114B2

  公开（公告）日：2009-11-03
• US7960412B2
  申请人：——

  公开号：US7960412B2

  公开（公告）日：2011-06-14