4-octyloxypyridine-2,6-dicarboxylic acid | 98828-72-9

• 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-octyloxypyridine-2,6-dicarboxylic acid
• 英文别名: 4-Octoxypyridine-2,6-dicarboxylic acid；4-octoxypyridine-2,6-dicarboxylic acid
• CAS: 98828-72-9
• 化学式: C₁₅H₂₁NO₅
• 分子量: 295.335
• InChiKey: KWPUPLDEJYSARL-UHFFFAOYSA-N

物化性质

• 沸点：
  506.7±50.0 °C(Predicted)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  96.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-octyloxypyridine-2,6-dicarboxylic acid 在 氯化亚砜 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.08h， 生成 dimethyl 4-octyloxypyridine-2,6-dicarboxylate
  参考文献：
  名称：

  Bates, Marie-Rose M.; Cardwell, Terence J.; Cattrall, Robert W., Australian Journal of Chemistry, 1991, vol. 44, # 11, p. 1603 - 1613

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-2,6-吡啶二羰基二氯 在 氢氧化钾 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 4-octyloxypyridine-2,6-dicarboxylic acid
  参考文献：
  名称：

  Bradshaw, Jerald S.; Spencer, Neil O.; Hansen, Gilbert R., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 353 - 357

  摘要：

  DOI：

文献信息

• Bradshaw, Jerald S.; Spencer, Neil O.; Hansen, Gilbert R., Journal of Heterocyclic Chemistry, 1983, vol. 20, p. 353 - 357
  作者：Bradshaw, Jerald S.、Spencer, Neil O.、Hansen, Gilbert R.、Izatt, Reed M.

  DOI：——

  日期：——
• Mesogenic Palladium Complexes with Pincer Ligands Derived from Dipicolinic Acid
  作者：Pablo Espinet、Esther García-Orodea、Jesús A. Miguel

  DOI：10.1021/ic0001457

  日期：2000.8.1

  4-Substituted pyridine-2,6-dicarboxylic acids, (E)-dipicH(2) and 4-substituted pyridine-2,6-bis(thiocarboxylic) acids, (E)-pdtcH(2), (E = OCnH2n+1, SCnH2n+1) have been synthesized and used as O,N,O- and S,N,S-pincer ligands with palladium. In the fourth coordination site the complexes bear 4-decyloxy-4'-stilbazole (L-1), 4-decyloxy-N-(4-pyridylmethylene)anilines (L-2), decyl 4-pyridinecarboxylate (L-3), 4-(4'-decyloxyphenyl)pyridinecarboxylate (L-4), 4-(3',4',5'-tridecyloxybenzyl)pyridinecarboxylate (L-5), 4-isocyano-1-decyloxybenzene (L-6), or 4-isocyano-4'-decyloxybiphenyl (L-7). Thermotropic mesomorphism is observed for the (E)-dipic complexes with L-5 and n = 12, which display columnar phases. The complexes with S,N,S-pincers show an important depression in the melting point compared to their O,N,O homologues and this change gives rise to mesomorphic materials (Sc). However, in the case of L5 the mesomorphic behavior observed for the O,N,O derivative is lost in its S,N,S analogue. The alkylsulfanyl compounds exhibit lower transition temperatures and wider mesophase ranges than their alkoxy analogues.
• Bates, Marie-Rose M.; Cardwell, Terence J.; Cattrall, Robert W., Australian Journal of Chemistry, 1991, vol. 44, # 11, p. 1603 - 1613
  作者：Bates, Marie-Rose M.、Cardwell, Terence J.、Cattrall, Robert W.、Deady, Leslie W.、Murphy, Kathryn

  DOI：——

  日期：——