1-isopropyl-2-methylpyridinium iodide | 90786-98-4

• 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: 1-isopropyl-2-methylpyridinium iodide
• 英文别名: 1-Isopropyl-2-picolinium iodide；2-picolinium propyliodide；1-isopropyl-2-methyl-pyridinium; iodide；1-Isopropyl-2-methyl-pyridinium; Jodid；Agn-PC-0N3U0Q；2-methyl-1-propan-2-ylpyridin-1-ium;iodide
• CAS: 90786-98-4
• 化学式: C₉H₁₄N*I
• 分子量: 263.121
• InChiKey: DNJWPWKJBYLSQN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.13
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-isopropyl-2-methylpyridinium iodide 、 正丁胺 在 二氧化硫 作用下， 以 水 为溶剂， 反应 30.0h， 以71%的产率得到N-丁基苯胺
  参考文献：
  名称：

  Recyclization of pyridinium salts with exchange as a method for the preparation of N-substituted aromatic amines

  摘要：

  DOI：

  10.1007/bf00519822
• 作为产物：
  描述：

  碳酸甲丙酯 、 2-碘代丙烷 以 丙酮 为溶剂， 反应 192.0h， 以42%的产率得到1-isopropyl-2-methylpyridinium iodide
  参考文献：
  名称：

  Heterocyclic betaines. 14. (E)-1-Alkyl-[2-(imidazol-2-ylidene)ethylidene]dihydropyridines with a betaine character. An improved protocol for a Knoevenagel-type condensation for synthesis of (E)-1-alkyl-[2-(1H-imidazol-2-yl)vinyl]pyridinium salts

  摘要：

  A novel class of aza analogues of (E)-stilbene, the (E)-1-alkyl-[2-(imidazol-2-ylidene)ethylidene]dihydropyridines 4A <-> 4B, 5A <-> 5B, have been studied. They were synthesized by a convenient two-steps procedure. In each of the steps, the necessary basic reaction medium has been generated by a strong basic ion-exchange resin (OH- form). Thus, a modified protocol of the Knoevenagel condensation has been applied to preparation of the title (imidazolylvinyl)pyridinium salts, deprotonation of which yields several examples of compounds 4 and 5. The betaine character of 4 and 5 is well reflected by their physicochemical properties and reactivity toward electrophiles (Mel).

  DOI：

  10.1021/jo00044a015

文献信息

• HALIDES AND PERHALIDES OF THE PICOLINES.
  作者：Paul. Murrill

  DOI：10.1021/ja02060a002

  日期：1899.10
• Arylation of primary and secondary amines by means of alkylpyridinium salts
  作者：R. S. Sagitullin、B. A. Lugovik、G. P. Shkil'、I. M. Zhelyaeva

  DOI：10.1007/bf00515654

  日期：1984.3
• SAGITULLIN, R. S.;LUGOVIK, B. A.;SHKIL, G. P.;ZHELYAEVA, I. M., XIMIYA GETEROTSIKL. SOEDIN., 1984, N 3, 417-418
  作者：SAGITULLIN, R. S.、LUGOVIK, B. A.、SHKIL, G. P.、ZHELYAEVA, I. M.

  DOI：——

  日期：——
• SHKIL, G. P.;XIRSTOLYUBOVA, O. V.;LUGOVIK, B. A.;ATAVIN, E. G.;SAGITULLIN+, XIMIYA GETEROTSIKL. SOEDIN., 1985, N 8, 1095-1098
  作者：SHKIL, G. P.、XIRSTOLYUBOVA, O. V.、LUGOVIK, B. A.、ATAVIN, E. G.、SAGITULLIN+

  DOI：——

  日期：——
• Heterocyclic betaines. 14. (E)-1-Alkyl-[2-(imidazol-2-ylidene)ethylidene]dihydropyridines with a betaine character. An improved protocol for a Knoevenagel-type condensation for synthesis of (E)-1-alkyl-[2-(1H-imidazol-2-yl)vinyl]pyridinium salts
  作者：Ermitas Alcalde、Tomas Roca

  DOI：10.1021/jo00044a015

  日期：1992.8

  A novel class of aza analogues of (E)-stilbene, the (E)-1-alkyl-[2-(imidazol-2-ylidene)ethylidene]dihydropyridines 4A <-> 4B, 5A <-> 5B, have been studied. They were synthesized by a convenient two-steps procedure. In each of the steps, the necessary basic reaction medium has been generated by a strong basic ion-exchange resin (OH- form). Thus, a modified protocol of the Knoevenagel condensation has been applied to preparation of the title (imidazolylvinyl)pyridinium salts, deprotonation of which yields several examples of compounds 4 and 5. The betaine character of 4 and 5 is well reflected by their physicochemical properties and reactivity toward electrophiles (Mel).