5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzaldehyde | 1233851-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzaldehyde
• 英文别名: 5-Chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzaldehyde；5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]benzaldehyde
• CAS: 1233851-61-0
• 化学式: C₁₄H₉Cl₂FO₂
• 分子量: 299.129
• InChiKey: YFVPNOSDIZDKRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzaldehyde 在 三乙基硅烷 、 1,1'-双(二苯基膦)二茂铁 、 正丁基锂 、 水 、 palladium diacetate 、 溶剂黄146 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 、 氯苯 、 甲苯 为溶剂， 反应 24.66h， 生成 6-[[5-氯-2-[(4-氯-2-氟苯基)甲氧基]苯基]甲基]吡啶-2-羧酸
  参考文献：
  名称：

  Selection and Development of the Manufacturing Route for EP₁ Antagonist GSK269984B

  摘要：

  A potential manufacturing route for the EP1 antagonist GSK269984B was developed. Four synthetic approaches were examined, and a successful realisation of each is presented. The rationale supporting selection of the preferred route is discussed. This route utilised a phenolic aldol reaction as the key step and relied on selective hydrogenolysis to reduce an intermediate diarylmethanol. Further optimisation of the selected route is presented, delivering GSK269984B in three stages and 46% overall yield from readily available starting materials.

  DOI：

  10.1021/op100072y
• 作为产物：
  描述：

  5-氯代水杨醛 、 4-氯-2-氟苄溴 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以26.4 g的产率得到5-chloro-2-((4-chloro-2-fluorobenzyl)oxy)benzaldehyde
  参考文献：
  名称：

  Selection and Development of the Manufacturing Route for EP₁ Antagonist GSK269984B

  摘要：

  A potential manufacturing route for the EP1 antagonist GSK269984B was developed. Four synthetic approaches were examined, and a successful realisation of each is presented. The rationale supporting selection of the preferred route is discussed. This route utilised a phenolic aldol reaction as the key step and relied on selective hydrogenolysis to reduce an intermediate diarylmethanol. Further optimisation of the selected route is presented, delivering GSK269984B in three stages and 46% overall yield from readily available starting materials.

  DOI：

  10.1021/op100072y

文献信息

• [EN] EP1 RECEPTOR LIGANDS<br/>[FR] LIGANDS DU RÉCEPTEUR EP1
  申请人：ESTEVE LABOR DR

  公开号：WO2013037960A1

  公开（公告）日：2013-03-21

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地，它涉及具有对EP1受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备方法，以及它们作为治疗和/或预防由EP1受体介导的疾病或紊乱的药物的用途，以及包含它们的药物组合物。
• Ep1 receptor ligands
  申请人：Almirall, S.A.

  公开号：EP2570125A1

  公开（公告）日：2013-03-20

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域。更具体地说，它涉及具有对EP1受体具有高亲和力和选择性的一般式(I)化合物。本发明还涉及它们的制备过程，它们作为治疗和/或预防由EP1受体介导的疾病或障碍的药物的使用，以及包含它们的制药组合物。
• EP1 RECEPTOR LIGANDS
  申请人：Torrens Jover Antoni

  公开号：US20140323475A1

  公开（公告）日：2014-10-30

  The present invention belongs to the field of EP1 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP1 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP1 receptor as well as to pharmaceutical compositions comprising them.

  本发明属于EP1受体配体领域，更具体地，它指的是具有EP1受体亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，它们作为治疗和/或预防由EP1受体介导的疾病或疾病的药物的使用，以及包含它们的制药组合物。
• US9518015B2
  申请人：——

  公开号：US9518015B2

  公开（公告）日：2016-12-13