Methyl 3-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate | 488082-68-4

• 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: Methyl 3-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
• 英文别名: methyl 3-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
• CAS: 488082-68-4
• 化学式: C₂₈H₃₁NO₃Si₂
• 分子量: 485.73
• InChiKey: DVKJZEFBZNXHII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-Acetylamino-5-ethynyl-phenylethynyl)-5-ethynyl-benzoic acid methyl ester
  参考文献：
  名称：

  Hydrogen Bond-Stabilized Helix Formation of a m-Phenylene Ethynylene Oligomer

  摘要：

  [GRAPHICS]Incorporation of a single hydrogen bonded beta-turn mimic in the backbone of a m-phenylene ethynylene oligomer is shown to affect the thermodynamic properties of the folding reaction. Oligomers 1 and 2 both undergo solvophobic helix formation, but hydrogen bonded oligomer 1 was found to form a more stable helix with a higher tolerance to solvent denaturation than isomeric, non-hydrogen bonded oligomer 2.

  DOI：

  10.1021/ol0270982
• 作为产物：
  描述：

  2-bromo-4-amino-N-acetylaniline 在 tris(dibenzylideneacetone)dipalladium (0) 盐酸 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 、 sodium nitrite 、 碘甲烷 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 103.5h， 生成 Methyl 3-[2-[2-acetamido-5-(2-trimethylsilylethynyl)phenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoate
  参考文献：
  名称：

  Hydrogen Bond-Stabilized Helix Formation of a m-Phenylene Ethynylene Oligomer

  摘要：

  [GRAPHICS]Incorporation of a single hydrogen bonded beta-turn mimic in the backbone of a m-phenylene ethynylene oligomer is shown to affect the thermodynamic properties of the folding reaction. Oligomers 1 and 2 both undergo solvophobic helix formation, but hydrogen bonded oligomer 1 was found to form a more stable helix with a higher tolerance to solvent denaturation than isomeric, non-hydrogen bonded oligomer 2.

  DOI：

  10.1021/ol0270982

文献信息

• Hydrogen Bond-Stabilized Helix Formation of a <i>m</i>-Phenylene Ethynylene Oligomer
  作者：Jennifer M. Cary、Jeffrey S. Moore

  DOI：10.1021/ol0270982

  日期：2002.12.1

  [GRAPHICS]Incorporation of a single hydrogen bonded beta-turn mimic in the backbone of a m-phenylene ethynylene oligomer is shown to affect the thermodynamic properties of the folding reaction. Oligomers 1 and 2 both undergo solvophobic helix formation, but hydrogen bonded oligomer 1 was found to form a more stable helix with a higher tolerance to solvent denaturation than isomeric, non-hydrogen bonded oligomer 2.