Methyl 4-(5-cyanopyridin-2-yl)oxybenzoate | 288588-38-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 4-(5-cyanopyridin-2-yl)oxybenzoate
• CAS: 288588-38-5
• 化学式: C₁₄H₁₀N₂O₃
• mdl: MFCD13404693
• 分子量: 254.245
• InChiKey: LZCQKDQPRDKNFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  72.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 4-(5-cyanopyridin-2-yl)oxybenzoate 在 palladium on activated charcoal 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 Methyl 4-((5-(aminomethyl)pyridin-2-yl)oxy)benzoate
  参考文献：
  名称：

  New macrobicyclic receptors for amino acids

  摘要：

  Two new receptors, 9 and 13, have been prepared, utilising a pyridyl aryl ether unit in the rim of the macrobicyclic structure, and the crystal structures for both of these receptors are reported. The presence of the pyridyl unit provides additional hydrogen bonding functionality in comparison to earlier structures of this type, and 9 is an effective receptor for N-acetyl L-asparagine carboxylate in CH2Cl2. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00488-3
• 作为产物：
  描述：

  6-氯-3-氰基吡啶 、 对羟基苯甲酸甲酯 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 以77%的产率得到Methyl 4-(5-cyanopyridin-2-yl)oxybenzoate
  参考文献：
  名称：

  New macrobicyclic receptors for amino acids

  摘要：

  Two new receptors, 9 and 13, have been prepared, utilising a pyridyl aryl ether unit in the rim of the macrobicyclic structure, and the crystal structures for both of these receptors are reported. The presence of the pyridyl unit provides additional hydrogen bonding functionality in comparison to earlier structures of this type, and 9 is an effective receptor for N-acetyl L-asparagine carboxylate in CH2Cl2. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00488-3

文献信息

• New macrobicyclic receptors for amino acids
  作者：Valerie Jullian、Emma Shepherd、Thomas Gelbrich、Michael B Hursthouse、Jeremy D Kilburn

  DOI：10.1016/s0040-4039(00)00488-3

  日期：2000.5

  Two new receptors, 9 and 13, have been prepared, utilising a pyridyl aryl ether unit in the rim of the macrobicyclic structure, and the crystal structures for both of these receptors are reported. The presence of the pyridyl unit provides additional hydrogen bonding functionality in comparison to earlier structures of this type, and 9 is an effective receptor for N-acetyl L-asparagine carboxylate in CH2Cl2. (C) 2000 Elsevier Science Ltd. All rights reserved.