3-{[4-({Acetyl-[2-(4-hydroxy-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-silanyl}-propionic acid methyl ester | 195454-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-{[4-({Acetyl-[2-(4-hydroxy-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-silanyl}-propionic acid methyl ester
• 英文别名: methyl 3-[[4-[[acetyl-[2-(4-hydroxyphenyl)ethyl]amino]methyl]phenyl]-dimethylsilyl]propanoate
• CAS: 195454-15-0
• 化学式: C₂₃H₃₁NO₄Si
• 分子量: 413.589
• InChiKey: WUCFOUUDTCOXOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-{[4-({Acetyl-[2-(4-hydroxy-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-silanyl}-propionic acid methyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以100%的产率得到3-{[4-({Acetyl-[2-(4-hydroxy-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-silanyl}-propionic acid
  参考文献：
  名称：

  Simple Silyl Linker for the Solid Phase Organic Synthesis of Aryl- Containing Molecules

  摘要：

  We have designed a simple (dimethylsilyl)propionic acid linker for the solid phase synthesis of aryl-containing organic compounds. The linker is cleaved smoothly with trifluoroacetic acid either in solution or in the vapor phase to release the unsubstituted aryl moiety, Using this linker, we have successfully demonstrated the solid phase synthesis of a test compound which involved alkylation, acylation, and Mitsunobu reactions.

  DOI：

  10.1021/jo9620472
• 作为产物：
  描述：

  4-溴苄醇 在 吡啶 、 咪唑 、 manganese(IV) oxide 、 水 、 sodium methylate 、 sodium cyanoborohydride 、 magnesium 、 溶剂黄146 、 1,2-二溴乙烷 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 144.0h， 生成 3-{[4-({Acetyl-[2-(4-hydroxy-phenyl)-ethyl]-amino}-methyl)-phenyl]-dimethyl-silanyl}-propionic acid methyl ester
  参考文献：
  名称：

  Simple Silyl Linker for the Solid Phase Organic Synthesis of Aryl- Containing Molecules

  摘要：

  We have designed a simple (dimethylsilyl)propionic acid linker for the solid phase synthesis of aryl-containing organic compounds. The linker is cleaved smoothly with trifluoroacetic acid either in solution or in the vapor phase to release the unsubstituted aryl moiety, Using this linker, we have successfully demonstrated the solid phase synthesis of a test compound which involved alkylation, acylation, and Mitsunobu reactions.

  DOI：

  10.1021/jo9620472