(R)-2-Bromo-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)ethanol | 956234-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (R)-2-Bromo-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)ethanol
• 英文别名: (R)-2-Bromo-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6yl)ethanol；2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
• CAS: 956234-46-1
• 化学式: C₁₂H₁₅BrO₃
• 分子量: 287.153
• InChiKey: GITBRNCKPSTIQQ-UHFFFAOYSA-N

物化性质

• 沸点：
  382.2±42.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-2-Bromo-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)ethanol 在 咪唑 、 四丁基氟化铵 、 potassium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 生成 2-((6-(2-((2,6-dichlorobenzyl)(methyl)amino)ethoxy)hexyl)amino)-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-ol
  参考文献：
  名称：

  WO2007/124898

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴-1-(2,2-二甲基-4H-1,3-苯并二噁英-6-基)乙酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 (R)-2-Bromo-1-(2,2-dimethyl-4H-benzo[1,3]dioxin-6-yl)ethanol
  参考文献：
  名称：

  Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: Dual β2-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD

  摘要：

  A novel class of dual pharmacology bronchodilators targeting both beta(2)-adrenoceptor and PDE4 was designed and synthesised by combining the pharmacophores of salmeterol and roflumilast or phthalazinone. All the compounds exhibited better beta(2)-adrenoceptor agonist activities (pEC(50) = 8.47-9.20) than the reference compound salmeterol (pEC(50) = 8.3) and good inhibitory activity on PDE4B2 (IC50 = 0.235-1.093 mu M). (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.058

文献信息

• Agonists of beta-adrenoceptors
  申请人：——

  公开号：US20040242890A1

  公开（公告）日：2004-12-02

  The present invention relates to novel compounds of formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases. 1

  本发明涉及公式(I)的新化合物，其制造方法，包含它们的制药组合物以及它们在治疗中的应用，特别是在呼吸系统疾病的预防和治疗中的应用。
• Phenethanolamine derivatives for treatment of respiratory diseases
  申请人：Glaxo Group Limited

  公开号：US07135600B2

  公开（公告）日：2006-11-14

  The present invention relates to novel compounds of Formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

  本发明涉及式（I）的新化合物，其制备方法，包含它们的制药组合物，以及它们在治疗中的用途，特别是在呼吸系统疾病的预防和治疗中的用途。
• PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES
  申请人：BIGGADIKE Keith

  公开号：US20060287389A1

  公开（公告）日：2006-12-21

  The present invention relates to novel compounds of Formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

  本发明涉及公式（I）的新化合物，其制造方法，含有它们的制药组合物，以及它们在治疗中的应用，特别是在预防和治疗呼吸系统疾病方面的应用。
• Methods using phenethanolamine derivatives for treatment of respiratory diseases
  申请人：Biggadike Keith

  公开号：US20070004807A1

  公开（公告）日：2007-01-04

  The present invention relates to novel compounds of Formula (I), to a process for their manufacture, to pharmaceutical compositions containing them, and to their use in therapy, in particular their use in the prophylaxis and treatment of respiratory diseases.

  本发明涉及式(I)的新化合物、其制造方法、含有它们的药物组合物，以及它们在治疗中的应用，特别是在呼吸系统疾病的预防和治疗中的应用。
• DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR
  申请人：Puig Duran Carlos

  公开号：US20090082378A1

  公开（公告）日：2009-03-26

  This present disclosure relates to compounds of formula (I): The present disclosure also relates to pharmaceutical compositions comprising the compounds of formula (I) and to their methods of use in therapy.

  本公开涉及式(I)的化合物：本公开还涉及包含式(I)的化合物的制药组合物以及它们在治疗中的使用方法。