2-{(tert-Butyl-dimethyl-silanyloxy)-[5-(tert-butyl-dimethyl-silanyloxymethyl)-4,6,6-trimethyl-cyclohexa-1,4-dienyl]-methyl}-phenol | 855303-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-{(tert-Butyl-dimethyl-silanyloxy)-[5-(tert-butyl-dimethyl-silanyloxymethyl)-4,6,6-trimethyl-cyclohexa-1,4-dienyl]-methyl}-phenol
• CAS: 855303-08-1
• 化学式: C₂₉H₅₀O₃Si₂
• 分子量: 502.885
• InChiKey: NTQASOASKVQUSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.15
• 重原子数：
  34.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.66
• 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：

  2-{(tert-Butyl-dimethyl-silanyloxy)-[5-(tert-butyl-dimethyl-silanyloxymethyl)-4,6,6-trimethyl-cyclohexa-1,4-dienyl]-methyl}-phenol 在 咪唑 、 叔丁基过氧化氢 、 bis(acetylacetonate)oxovanadium 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 乙腈 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of 3D templates based on a taxane skeleton to circumvent P-glycoprotein-associated multidrug resistance of cancer

  摘要：

  We have developed a practical synthetic route to construct C-aromatic taxane derivatives as three-dimension templates by way of intramolecular alkylation. The usefulness of synthesized compounds as the core template was evaluated by using a newly developed screening system for P-glycoprotein. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.038
• 作为产物：
  描述：

  2-((tert-butyldimethylsilyl)oxy)benzaldehyde 、 以 四氢呋喃 为溶剂， 生成 [5-(tert-Butyl-dimethyl-silanyloxymethyl)-4,6,6-trimethyl-cyclohexa-1,4-dienyl]-[2-(tert-butyl-dimethyl-silanyloxy)-phenyl]-methanol 、 2-{(tert-Butyl-dimethyl-silanyloxy)-[5-(tert-butyl-dimethyl-silanyloxymethyl)-4,6,6-trimethyl-cyclohexa-1,4-dienyl]-methyl}-phenol
  参考文献：
  名称：

  Synthesis and evaluation of 3D templates based on a taxane skeleton to circumvent P-glycoprotein-associated multidrug resistance of cancer

  摘要：

  We have developed a practical synthetic route to construct C-aromatic taxane derivatives as three-dimension templates by way of intramolecular alkylation. The usefulness of synthesized compounds as the core template was evaluated by using a newly developed screening system for P-glycoprotein. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.038