2-bromo-4,6-dichloroanethol | 1010390-51-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-bromo-4,6-dichloroanethol
• 英文别名: 1-Bromo-3,5-dichloro-2-ethoxybenzene；1-bromo-3,5-dichloro-2-ethoxybenzene
• CAS: 1010390-51-8
• 化学式: C₈H₇BrCl₂O
• 分子量: 269.953
• InChiKey: SRCKHZYCMGQUCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  、 2-bromo-4,6-dichloroanethol 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  A new class of bradykinin B1 receptor antagonists with high oral bioavailability and minimal PXR activity

  摘要：

  The design and synthesis of a novel class of human bradykinin B, antagonists featuring difluoroethyl ether and isoxazole carboxamide moieties are disclosed. Compound 7g displayed excellent pharmacokinetic properties, efficient ex vivo receptor occupancy, and low potential for P450 induction via PXR activation. (c) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.057
• 作为产物：
  描述：

  2,6-二氯-4-溴酚 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydride 作用下， 以 六甲基磷酰三胺 为溶剂， 生成 2-bromo-4,6-dichloroanethol
  参考文献：
  名称：

  A new class of bradykinin B1 receptor antagonists with high oral bioavailability and minimal PXR activity

  摘要：

  The design and synthesis of a novel class of human bradykinin B, antagonists featuring difluoroethyl ether and isoxazole carboxamide moieties are disclosed. Compound 7g displayed excellent pharmacokinetic properties, efficient ex vivo receptor occupancy, and low potential for P450 induction via PXR activation. (c) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.11.057

文献信息

• A new class of bradykinin B1 receptor antagonists with high oral bioavailability and minimal PXR activity
  作者：Dong-Mei Feng、Robert M. DiPardo、Jenny M. Wai、Ronald K. Chang、Christina N. Di Marco、Kathy L. Murphy、Richard W. Ransom、Duane R. Reiss、Cuyue Tang、Thomayant Prueksaritanont、Douglas J. Pettibone、Mark G. Bock、Scott D. Kuduk

  DOI：10.1016/j.bmcl.2007.11.057

  日期：2008.1

  The design and synthesis of a novel class of human bradykinin B, antagonists featuring difluoroethyl ether and isoxazole carboxamide moieties are disclosed. Compound 7g displayed excellent pharmacokinetic properties, efficient ex vivo receptor occupancy, and low potential for P450 induction via PXR activation. (c) 2008 Published by Elsevier Ltd.