5-乙烯基-4-[4-氟-2-(苯基甲氧基)苯基]-2,6-双(1-甲基乙烯基)-3-吡啶甲醛 | 202858-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-乙烯基-4-[4-氟-2-(苯基甲氧基)苯基]-2,6-双(1-甲基乙烯基)-3-吡啶甲醛
• 英文名称: 4-(2-Benzyloxy-4-fluoro-phenyl)-2,6-diisopropyl-5-vinyl-pyridine-3-carbaldehyde
• 英文别名: 3-Pyridinecarboxaldehyde, 5-ethenyl-4-[4-fluoro-2-(phenylmethoxy)phenyl]-2,6-bis(1-methylethyl)-；5-ethenyl-4-(4-fluoro-2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde
• CAS: 202858-60-4
• 化学式: C₂₇H₂₈FNO₂
• 分子量: 417.523
• InChiKey: JFPFGGKGIBLAOP-UHFFFAOYSA-N

物化性质

• 沸点：
  525.4±50.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-乙烯基-4-[4-氟-2-(苯基甲氧基)苯基]-2,6-双(1-甲基乙烯基)-3-吡啶甲醛 在 palladium on activated charcoal 氢气 作用下， 以 乙醚 、 乙醇 、 甲苯 为溶剂， 反应 0.5h， 生成 (αR,4R)-rel-5-乙基-4-(4-氟-2-羟基苯基)-α-甲基-2,6-双(1-甲基乙基)-3-吡啶甲醇
  参考文献：
  名称：

  Integration of optimized substituent patterns to produce highly potent 4-aryl-pyridine glucagon receptor antagonists

  摘要：

  Optimized substituent patterns in 4-arul-puridine glucagon receptor antagonists were merged to produce highly potent derivatives containing both a 3-[(1R)-hydroxyethyl] and a 2'-hydroxy group. Due to restricted rotation of the phenyl-pyridine bond, these analogues exist as four isomers. A diastereoselective methylcopper reaction as developed to facilitate the synthesis, and single isomers ere isolated with activities in the range IC50 = 10 25 nM. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00736-9
• 作为产物：
  描述：

  dimethyl 2,6-diisopropyl-4-oxo-2H-pyran-3,5-dicarboxylate 在 lithium aluminium tetrahydride 、 氨 、 potassium carbonate 、 红铝 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 生成 5-乙烯基-4-[4-氟-2-(苯基甲氧基)苯基]-2,6-双(1-甲基乙烯基)-3-吡啶甲醛
  参考文献：
  名称：

  Integration of optimized substituent patterns to produce highly potent 4-aryl-pyridine glucagon receptor antagonists

  摘要：

  Optimized substituent patterns in 4-arul-puridine glucagon receptor antagonists were merged to produce highly potent derivatives containing both a 3-[(1R)-hydroxyethyl] and a 2'-hydroxy group. Due to restricted rotation of the phenyl-pyridine bond, these analogues exist as four isomers. A diastereoselective methylcopper reaction as developed to facilitate the synthesis, and single isomers ere isolated with activities in the range IC50 = 10 25 nM. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00736-9