(+/-)-2-(2-hydroxyhexyl)pyridine | 91339-85-4

• 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
• 英文名称: (+/-)-2-(2-hydroxyhexyl)pyridine
• 英文别名: 1--2-hydroxy-hexan；1-pyridin-2-yl-hexan-2-ol；1-(Pyridin-2-yl)hexan-2-ol；1-pyridin-2-ylhexan-2-ol
• CAS: 91339-85-4
• 化学式: C₁₁H₁₇NO
• mdl: MFCD01691750
• 分子量: 179.262
• InChiKey: YSSBADNWEDTEEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.545
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (+/-)-2-(2-hydroxyhexyl)pyridine 在 jones reagent 、 sodium hydride 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 10.0h， 生成 (+/-)-2-<2-oxo-1-<<2'-<1-(triphenylmethyl)-1H-tetrazol-5-yl><1,1'-biphenyl>-4-yl>methyl>hexyl>pyridine
  参考文献：
  名称：

  Design and synthesis of nonpeptide angiotensin II receptor antagonists featuring acyclic imidazole-mimicking structural units

  摘要：

  Extensive molecular modelling studies, including conformational analysis and the comparison of molecular electrostatic potential distributions, were used to evaluate structural parameters of new antagonists containing acyclic replacements of the N = C-N imidazole region. The synthesis and the biological screening of a series of acyl biphenyltetrazole derivatives were planned and realized to gain an insight into the structure-activity relationships of this unusual class of Angiotensin II antagonists. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00160-6
• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 在 硝酸 、 caesium carbonate 、 三乙胺 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 30.08h， 生成 (+/-)-2-(2-hydroxyhexyl)pyridine
  参考文献：
  名称：

  10.1002/anie.202408432

  摘要：

  AbstractA strategy for transition metal‐free cross‐coupling of alkyl nitroso‐carbamates and boronic acids is reported. The N‐nitroso carbamates are easily prepared from the corresponding amine in two simple steps. This method allows for the synthesis of a wide variety of secondary boronates, benzylic boronates and formal Csp3−Csp2 cross‐coupling products under operationally simple conditions. Functional group tolerance is also demonstrated and applied in the modification of lysine to make non‐canonical amino acids.

  DOI：

  10.1002/anie.202408432

文献信息

• Design and synthesis of nonpeptide angiotensin II receptor antagonists featuring acyclic imidazole-mimicking structural units
  作者：Mauro Angiolini、Laura Belvisi、Davide Poma、Aldo Salimbeni、Nunzio Sciammetta、Carlo Scolastico

  DOI：10.1016/s0968-0896(98)00160-6

  日期：1998.11

  Extensive molecular modelling studies, including conformational analysis and the comparison of molecular electrostatic potential distributions, were used to evaluate structural parameters of new antagonists containing acyclic replacements of the N = C-N imidazole region. The synthesis and the biological screening of a series of acyl biphenyltetrazole derivatives were planned and realized to gain an insight into the structure-activity relationships of this unusual class of Angiotensin II antagonists. (C) 1998 Elsevier Science Ltd. All rights reserved.