4-(2-Benzyloxy-phenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylic acid dimethyl ester | 503559-73-7

• 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
• 英文名称: 4-(2-Benzyloxy-phenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylic acid dimethyl ester
• 英文别名: Dimethyl 4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylate；dimethyl 4-(2-phenylmethoxyphenyl)-2,6-di(propan-2-yl)pyridine-3,5-dicarboxylate
• CAS: 503559-73-7
• 化学式: C₂₈H₃₁NO₅
• 分子量: 461.558
• InChiKey: SQOCHGYRONHWNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  74.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(2-Benzyloxy-phenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylic acid dimethyl ester 在 红铝 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-(2-Benzyloxy-phenyl)-5-formyl-2,6-diisopropyl-nicotinic acid methyl ester
  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 氨 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 丙酮 为溶剂， 生成 4-(2-Benzyloxy-phenyl)-2,6-diisopropyl-pyridine-3,5-dicarboxylic acid dimethyl ester
  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