3,3'-difluoro-trityl chloride | 379-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 3,3'-difluoro-trityl chloride
• 英文别名: 3,3'-Difluor-tritylchlorid；1-[Chloro-(3-fluorophenyl)-phenylmethyl]-3-fluorobenzene
• CAS: 379-41-9
• 化学式: C₁₉H₁₃ClF₂
• 分子量: 314.762
• InChiKey: BNVMXHARBAIGCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3'-difluoro-trityl chloride 在 银 、 苯 作用下， 生成 1,1,2,2-tetrakis-(3-fluoro-phenyl)-1,2-diphenyl-ethane
  参考文献：
  名称：

  The Dissociation of Hexaarylethanes. XVI.¹ Alkyl and Halogen Derivatives

  摘要：

  DOI：

  10.1021/ja01234a023
• 作为产物：
  描述：

  苯甲酸乙酯 在 乙醚 、 苯 作用下， 生成 3,3'-difluoro-trityl chloride
  参考文献：
  名称：

  The Dissociation of Hexaarylethanes. XVI.¹ Alkyl and Halogen Derivatives

  摘要：

  DOI：

  10.1021/ja01234a023

文献信息

• Towards a Comprehensive Hydride Donor Ability Scale
  作者：Markus Horn、Ludwig H. Schappele、Gabriele Lang-Wittkowski、Herbert Mayr、Armin R. Ofial

  DOI：10.1002/chem.201202839

  日期：2013.1.2

  Rates of hydride transfer from several hydride donors to benzhydrylium ions have been measured at 20 °C and used for the determination of empirical nucleophilicity parameters N and sN according to the linear free energy relationship log k20 °C=sN(N+E). Comparison of the rate constants of hydride abstraction by tritylium ions with those calculated from the reactivity parameters sN, N, and E showed fair

  从几个氢化物供体到benzhydrylium离子氢化物转移率在20℃下被测量和用于经验亲核性参数的确定Ñ和š Ñ根据线性自由能关系日志 ķ 20℃ =小号Ñ（Ñ + Ë）。ity离子对氢化物提取速率常数与根据反应性参数s N，N和E计算得出的速率常数的比较显示出合理的一致性。因此，有可能将大量关于三苯甲烷离子氢化物提取的文献数据转化为N和相应氢化物供体的s N参数，并为氢化物供体建立覆盖20个数量级以上的反应性标度。
• Bartroli; Alguero; Boncompte, Arzneimittel-Forschung/Drug Research, 1992, vol. 42, # 6, p. 832 - 835
  作者：Bartroli、Alguero、Boncompte、Forn

  DOI：——

  日期：——
• Novel Inhibitors of the Gardos Channel for the Treatment of Sickle Cell Disease
  作者：Grant A. McNaughton-Smith、J. Ford Burns、Jonathan W. Stocker、Gregory C. Rigdon、Christopher Creech、Susan Arrington、Tara Shelton、Lucia de Franceschi

  DOI：10.1021/jm070663s

  日期：2008.2.1

  Sickle cell disease (SCD) is a hereditary condition characterized by deformation of red blood cells (RBCs). This phenomenon is due to the presence of abnormal hemoglobin that polymerizes upon deoxygenation. This effect is exacerbated when dehydrated RBCs experience a loss of both water and potassium salts. One critical pathway for the regulation of potassium efflux from RBCs is the Gardos channel, a calcium-activated potassium channel. This paper describes the synthesis and biological evaluation of a series of potent inhibitors of the Gardos channel. The goal was to identify compounds that were potent and selective inhibitors of the channel but had improved pharmacokinetic properties compared to 1, Clotrimazole. Several triarylamides such as 10 and 21 were potent inhibitors of the Gardos channel (IC50 of < 10 nM) and active in a mouse model of SCD. Compound 21 (ICA-17043) was advanced into phase 3 clinical trials for SCD.
• BARTROLL, JAVIER;ANGULTA, MANUEL
  作者：BARTROLL, JAVIER、ANGULTA, MANUEL

  DOI：——

  日期：——
• The Dissociation of Hexaarylethanes. XVI.¹ Alkyl and Halogen Derivatives
  作者：C. S. Marvel、H. W. Johnston、J. W. Meier、T. W. Mastin、John Whitson、Chester M. Himel

  DOI：10.1021/ja01234a023

  日期：1944.6