2-(trifluoromethyl)benzhydryl bromide | 176713-99-8

• 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-(trifluoromethyl)benzhydryl bromide
• 英文别名: 1-[bromo(phenyl)methyl]-2-(trifluoromethyl)benzene
• CAS: 176713-99-8
• 化学式: C₁₄H₁₀BrF₃
• 分子量: 315.133
• InChiKey: DSCVUPRIQQQPNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(trifluoromethyl)benzhydryl bromide 生成 2-Trifluoromethylphenyl(phenyl)methylphosphonic acid
  参考文献：
  名称：

  Benzylphosphonic acid inhibitors of human prostatic acid phosphatase

  摘要：

  A series of alpha-substituted benzylphosphonic acids is described as inhibitors of human prostatic acid phosphatase, an enzyme which has been used as a model to study aryl phosphatases. The most potent inhibitors in this series are 2-trifluoromethylbenzhydrylphosphonic acid (9 mu M), and alpha-(2-phenylethyl)benzylphosphonic acid (14 mu M) The structure-activity studies suggest that bulk tolerance beyond the phosphate binding area limits the steric or hydrophobic contribution to inhibitor potency achieved through alpha-carbon substitution.

  DOI：

  10.1016/0960-894x(96)00018-2
• 作为产物：
  描述：

  2-(三氟甲基)二苯甲醇 在 三溴化磷 作用下， 以 乙醚 为溶剂， 生成 2-(trifluoromethyl)benzhydryl bromide
  参考文献：
  名称：

  Substituted phosphonic acids and derivatives useful in treating bone

  摘要：

  公式I代表的化合物被披露为用于治疗骨质疏松症的药物。

  公开号：

  US05508273A1

文献信息

• Substituted phosphonic acids and derivatives useful in treating bone
  申请人：Ortho Pharmaceutical Corporation

  公开号：US05508273A1

  公开（公告）日：1996-04-16

  Compounds represented by the formula I: ##STR1## are disclosed as agents for use in treating bone wasting diseases.

  公式I代表的化合物被披露为用于治疗骨质疏松症的药物。
• US5508273A
  申请人：——

  公开号：US5508273A

  公开（公告）日：1996-04-16
• Benzylphosphonic acid inhibitors of human prostatic acid phosphatase
  作者：Charles F. Schwender、Scott A. Beers、Elizabeth A. Malloy、Jacqueline J. Cinicola、David J. Wustrow、Keith D. Demarest、Jerold Jordan

  DOI：10.1016/0960-894x(96)00018-2

  日期：1996.2

  A series of alpha-substituted benzylphosphonic acids is described as inhibitors of human prostatic acid phosphatase, an enzyme which has been used as a model to study aryl phosphatases. The most potent inhibitors in this series are 2-trifluoromethylbenzhydrylphosphonic acid (9 mu M), and alpha-(2-phenylethyl)benzylphosphonic acid (14 mu M) The structure-activity studies suggest that bulk tolerance beyond the phosphate binding area limits the steric or hydrophobic contribution to inhibitor potency achieved through alpha-carbon substitution.