(E)-1-[4-(2-bromo-ethoxy)-phenyl]-1-(4-hydroxy-phenyl)-2-phenylbut-1-ene | 141776-97-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (E)-1-[4-(2-bromo-ethoxy)-phenyl]-1-(4-hydroxy-phenyl)-2-phenylbut-1-ene
• 英文别名: Phenol, 4-[1-[4-(2-bromoethoxy)phenyl]-2-phenyl-1-buten-1-yl]-；4-[(E)-1-[4-(2-bromoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
• CAS: 141776-97-8
• 化学式: C₂₄H₂₃BrO₂
• 分子量: 423.349
• InChiKey: CJOZMESSODTFHQ-WCWDXBQESA-N

物化性质

• 沸点：
  521.8±50.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  E/Z-1-[4-(2-bromoethoxy)phenyl]-1-(4-methoxyphenyl)-2-phenylbut-1-ene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 9.0h， 生成 (Z)-1-[4-(2-bromo-ethoxy)-phenyl]-1-(4-hydroxy-phenyl)-2-phenylbut-1-ene 、 (E)-1-[4-(2-bromo-ethoxy)-phenyl]-1-(4-hydroxy-phenyl)-2-phenylbut-1-ene
  参考文献：
  名称：

  [EN] TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME
  [FR] CONJUGUES CIBLES MEDICAMENT-FORMALDEHYDE ET PROCEDES DE FABRICATION ASSOCIES

  摘要：

  公开号：

  WO2005034856A3

文献信息

• NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF
  申请人：ACCUTAR BIOTECHNOLOGY INC.

  公开号：US20200157078A1

  公开（公告）日：2020-05-21

  The present disclosure relates to novel compounds having estrogen receptor alpha degradation activity, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions.

  本公开涉及具有雌激素受体α降解活性的新化合物，包含这些化合物的药物组合物，以及它们在预防和治疗癌症及相关疾病和症状中的应用。
• [EN] PROCESS FOR PREPARING (Z)-ENDOXIFEN OF HIGH PURITY<br/>[FR] PROCÉDÉ DE PRÉPARATION DE (Z)-ENDOXIFÈNE DE HAUTE PURETÉ
  申请人：US HEALTH

  公开号：WO2017070651A1

  公开（公告）日：2017-04-27

  Disclosed is a process for preparing (Z)-endoxifen, comprising (i) recrystallizing an input crystalline solid comprising a mixture of (Z)-endoxifen (1) and (E)-endoxifen (2) from a first solvent to provide a first crystalline solid and a first mother liquor, wherein the first mother liquor has a ratio of (1) to (2) at least 1.3 times greater than the ratio in the input crystalline solid (1) and (2); (ii) recrystallizing a solid produced by concentrating the first mother liquor, or by removal of the first solvent from the first mother liquor, from a second solvent to give a second crystalline solid and a second mother liquor; (iii) optionally recrystallizing the second crystalline solid from the second solvent one to five additional times to give a third crystalline solid; wherein the third crystalline solid has a ratio of (Z)-endoxifen (1) to (E)-endoxifen (2) greater than 20:1.

  本发明涉及制备(Z)-恩多西芬的方法，包括(i) 从第一溶剂中重新结晶输入晶体固体，该输入晶体固体包括(Z)-恩多西芬(1)和(E)-恩多西芬(2)的混合物，以提供第一晶体固体和第一母液，其中第一母液中(1)和(2)的比例至少比输入晶体固体中的比例高1.3倍；(ii) 从第二溶剂中重新结晶通过浓缩第一母液产生的固体，或通过从第一母液中去除第一溶剂而产生的固体，以给出第二晶体固体和第二母液；(iii) 可选地将第二晶体固体从第二溶剂中重新结晶一到五次，以得到第三晶体固体；其中第三晶体固体中(Z)-恩多西芬(1)和(E)-恩多西芬(2)的比例大于20:1。
• Process for preparing Z-endoxifen of high purity
  申请人：THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：US10464881B2

  公开（公告）日：2019-11-05

  Disclosed is a process for preparing (Z)-endoxifen, comprising (i) recrystallizing an input crystalline solid comprising a mixture of (Z)-endoxifen (1) and (E)-endoxifen (2) from a first solvent to provide a first crystalline solid and a first mother liquor, wherein the first mother liquor has a ratio of (1) to (2) at least 1.3 times greater than the ratio in the input crystalline solid (1) and (2); (ii) recrystallizing a solid produced by concentrating the first mother liquor, or by removal of the first solvent from the first mother liquor, from a second solvent to give a second crystalline solid and a second mother liquor; (iii) optionally recrystallizing the second crystalline solid from the second solvent one to five additional times to give a third crystalline solid; wherein the third crystalline solid has a ratio of (Z)-endoxifen (1) to (E)-endoxifen (2) greater than 20:1.

  本发明公开了一种制备(Z)-恩多昔芬的工艺，包括(i)从第一溶剂中重结晶由(Z)-恩多昔芬(1)和(E)-恩多昔芬(2)混合物组成的输入结晶固体，以提供第一结晶固体和第一母液，其中第一母液的(1)与(2)之比至少是输入结晶固体(1)和(2)之比1.3 倍；(ii) 从第二溶剂中重结晶通过浓缩第一母液或通过从第一母液中去除第一溶剂而产生的固体，以得到第二结晶固体和第二母液；(iii) 可选地将第二结晶固体从第二溶剂中再结晶一至五次，得到第三结晶固 体；其中第三结晶固体的(Z)-恩多昔芬(1)与(E)-恩多昔芬(2)之比大于 20：1.
• Compounds having estrogen receptor alpha degradation activity and uses thereof
  申请人：ACCUTAR BIOTECHNOLOGY INC.

  公开号：US10696659B2

  公开（公告）日：2020-06-30

  The present disclosure relates to novel compounds having estrogen receptor alpha degradation activity, pharmaceutical compositions containing such compounds, and their use in prevention and treatment of cancer and related diseases and conditions.

  本公开涉及具有雌激素受体α降解活性的新型化合物、含有此类化合物的药物组合物，以及它们在预防和治疗癌症及相关疾病和病症中的用途。
• PROCESS FOR PREPARING (Z)-ENDOXIFEN OF HIGH PURITY
  申请人：The United States Of America, As Represented By The Secretary, Department Of Health And Human Services

  公开号：EP3365322A1

  公开（公告）日：2018-08-29