3-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-benzoic acid | 135865-51-9

• 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: 3-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-benzoic acid
• 英文别名: 3-{[tert-Butyl(dimethyl)silyl]oxy}-4-methylbenzoic acid；3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzoic acid
• CAS: 135865-51-9
• 化学式: C₁₄H₂₂O₃Si
• 分子量: 266.412
• InChiKey: WRZDEBLTLHCNIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.08
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-benzoic acid 在 palladium on activated charcoal 四丙基高钌酸铵 、 氢气 、 二异丁基氢化铝 、 N-甲基吗啉氧化物 作用下， 生成 3-[3-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-phenyl]-propan-1-ol
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102
• 作为产物：
  描述：

  3-羟基-4-甲基苯甲酸 、 叔丁基二甲硅基三氟甲磺酸酯 在 三乙胺 作用下， 生成 3-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-benzoic acid
  参考文献：
  名称：

  Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues

  摘要：

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.102

文献信息

• Design, synthesis and cytotoxicity of 7-deoxy aryl discodermolide analogues
  作者：Mark A Burlingame、Simon J Shaw、Kurt F Sundermann、Dan Zhang、Joseph Petryka、Esteban Mendoza、Fenghua Liu、David C Myles、Matthew J LaMarche、Tomoyasu Hirose、B Scott Freeze、Amos B Smith

  DOI：10.1016/j.bmcl.2004.01.102

  日期：2004.5

  A series of 7-deoxy discodermolide analogues in which the lactone fragment 'C' was replaced by aryl substituents were designed, synthesized, and evaluated for cytotoxicity. (C) 2004 Elsevier Ltd. All rights reserved.