2-bromo-5-trifluoromethyl-1-(methoxymethoxymethyl)benzene | 905710-73-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-bromo-5-trifluoromethyl-1-(methoxymethoxymethyl)benzene
• 英文别名: 1-bromo-2-(methoxymethoxymethyl)-4-(trifluoromethyl)benzene
• CAS: 905710-73-8
• 化学式: C₁₀H₁₀BrF₃O₂
• 分子量: 299.087
• InChiKey: YHOHYGRMAGLZNT-UHFFFAOYSA-N

物化性质

• 沸点：
  255.6±35.0 °C(Predicted)
• 密度：
  1.486±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-bromo-5-trifluoromethyl-1-(methoxymethoxymethyl)benzene 在 正丁基锂 、 硼酸三异丙酯 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.25h， 生成
  参考文献：
  名称：

  Discovery of a New Boron-Containing Antifungal Agent, 5-Fluoro-1,3-dihydro-1-hydroxy-2,1- benzoxaborole (AN2690), for the Potential Treatment of Onychomycosis

  摘要：

  A structure-activity relationship investigation for a more efficacious therapy to treat onychomycosis, a fungal infection of the toe and fingernails, led to the discovery of a boron-containing small molecule, 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690), which is currently in clinical trials for onychomycosis topical treatment.

  DOI：

  10.1021/jm0603724
• 作为产物：
  描述：

  3-氟-5-甲氧基苯甲醛 在 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-bromo-5-trifluoromethyl-1-(methoxymethoxymethyl)benzene
  参考文献：
  名称：

  Discovery of a New Boron-Containing Antifungal Agent, 5-Fluoro-1,3-dihydro-1-hydroxy-2,1- benzoxaborole (AN2690), for the Potential Treatment of Onychomycosis

  摘要：

  A structure-activity relationship investigation for a more efficacious therapy to treat onychomycosis, a fungal infection of the toe and fingernails, led to the discovery of a boron-containing small molecule, 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole (AN2690), which is currently in clinical trials for onychomycosis topical treatment.

  DOI：

  10.1021/jm0603724

文献信息

• Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use
  申请人：Lee Ving

  公开号：US20070265226A1

  公开（公告）日：2007-11-15

  Compositions and methods of use of boron derivatives, including benzoxaboroles, benzazaboroles and benzthiaboroles, as therapeutic agents for treatment of diseases caused by fungi, yeast, bacteria or viruses are disclosed, as well as methods for synthesis of said agents and compositions thereof.

  揭示了硼衍生物的组合物和使用方法，包括苯硼酚酯、苯氮硼酚酯和苯硫硼酚酯，作为治疗由真菌、酵母、细菌或病毒引起的疾病的治疗剂，以及合成所述药剂和组合物的方法。
• Compounds for the Treatment of Periodontal Disease
  申请人：Sanders Virginia

  公开号：US20070286822A1

  公开（公告）日：2007-12-13

  Compounds, compositions and methods are provided which are useful in the treatment of periodontal disease.

  提供了在牙周病治疗中有用的化合物、组合物和方法。
• Hydrolytically-resistant boron-containing therapeutics and methods of use
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：US08106031B2

  公开（公告）日：2012-01-31

  Compositions and methods of use of boron derivatives, including benzoxaboroles, benzazaboroles and benzthiaboroles, as therapeutic agents for treatment of diseases caused by fungi, yeast, bacteria or viruses are disclosed, as well as methods for synthesis of said agents and compositions thereof.

  本文披露了硼衍生物的组成和使用方法，包括苯并氧硼烷、苯并氮硼烷和苯并硫硼烷，作为治疗由真菌、酵母、细菌或病毒引起的疾病的治疗剂，以及制备这些治疗剂和组合物的方法。
• HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：EP2015757A2

  公开（公告）日：2009-01-21
• COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE
  申请人：Anacor Pharmaceuticals, Inc.

  公开号：EP2044091A2

  公开（公告）日：2009-04-08