1-[4-(tert-Butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-5-(4-trifluoromethyl-phenyl)-pentan-3-ol | 590365-88-1

• 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: 1-[4-(tert-Butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-5-(4-trifluoromethyl-phenyl)-pentan-3-ol
• CAS: 590365-88-1
• 化学式: C₂₅H₃₅F₃O₃Si
• 分子量: 468.632
• InChiKey: LKEPNWAJOCUHGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.02
• 重原子数：
  32.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-[4-(tert-Butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-5-(4-trifluoromethyl-phenyl)-pentan-3-ol 在 四丁基氟化铵 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 O-[1-(4-hydroxy-3-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]pentan-3-yl] N-(2-phenylethyl)carbamothioate
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1
• 作为产物：
  描述：

  Coniferaldehyde 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-[4-(tert-Butyl-dimethyl-silanyloxy)-3-methoxy-phenyl]-5-(4-trifluoromethyl-phenyl)-pentan-3-ol
  参考文献：
  名称：

  Chain-Branched acyclic phenethylthiocarbamates as vanilloid receptor antagonists

  摘要：

  A series of acyclic phenethylthiocarbamate derivatives have been synthesized, and their antagonist effect against vanilloid receptor tested. Chain branching led to a significant change in antagonist activity of the parent molecule. Ethyl-branched le showed a 6.3 muM Of IC50 value in Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00178-1