4-octyloxypyridine-2,6-bis(thiocarboxylic) acid | 289030-84-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-octyloxypyridine-2,6-bis(thiocarboxylic) acid
• CAS: 289030-84-8
• 化学式: C₁₅H₂₁NO₃S₂
• 分子量: 327.469
• InChiKey: WEUHBIHEZWBLAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  21.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  56.26
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonato)palladium(II) 、 4-octyloxypyridine-2,6-bis(thiocarboxylic) acid 以 氯仿 为溶剂， 以66%的产率得到
  参考文献：
  名称：

  Mesogenic Palladium Complexes with Pincer Ligands Derived from Dipicolinic Acid

  摘要：

  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.

  DOI：

  10.1021/ic0001457