1-ethyl-3-(4-methylpiperazin-1-yl)-1-[(pyridin-2-yl)sulfanylmethyl]-1H-isoindole | 1144507-98-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 1-ethyl-3-(4-methylpiperazin-1-yl)-1-[(pyridin-2-yl)sulfanylmethyl]-1H-isoindole
• 英文别名: 1-Ethyl-3-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylsulfanylmethyl)isoindole；1-ethyl-3-(4-methylpiperazin-1-yl)-1-(pyridin-2-ylsulfanylmethyl)isoindole
• CAS: 1144507-98-1
• 化学式: C₂₁H₂₆N₄S
• 分子量: 366.53
• InChiKey: MGFIKVCQRPTLJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-巯基吡啶 、 1-ethyl-1-iodomethyl-3-(4-methylpiperazin-1-yl)-1H-isoindole 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 3.0h， 以76%的产率得到1-ethyl-3-(4-methylpiperazin-1-yl)-1-[(pyridin-2-yl)sulfanylmethyl]-1H-isoindole
  参考文献：
  名称：

  Synthesis of 1H-Isoindol-3-amine Derivatives by Iodine-Mediated Cyclization of 2-Vinylbenzamidine Derivatives

  摘要：

  It has been found that the reaction of 2-vinylbenzamidine derivatives, prepared by reacting 2-vinylbenzonitriles with lithium cyclic secondary amides, with iodine in the presence of sodium hydrogen carbonate in acetonitrile resulted in the formation of the corresponding 1-iodomethyl-1H-isoindole-3-amine derivatives in reasonable overall yields based on the starting 2-vinylbenzonitriles. We have also found that transformation of these 1-iodomethyl derivatives into 1-sulfenylmethyl derivatives could be achieved in good yields on treatment with various sodium thiolates.

  DOI：

  10.3987/com-08-11554

文献信息

• Synthesis of 1H-Isoindol-3-amine Derivatives by Iodine-Mediated Cyclization of 2-Vinylbenzamidine Derivatives
  作者：Kazuhiro Kobayashi、Mai Horiuchi、Shuhei Fukamachi、Hisatoshi Konishi

  DOI：10.3987/com-08-11554

  日期：——

  It has been found that the reaction of 2-vinylbenzamidine derivatives, prepared by reacting 2-vinylbenzonitriles with lithium cyclic secondary amides, with iodine in the presence of sodium hydrogen carbonate in acetonitrile resulted in the formation of the corresponding 1-iodomethyl-1H-isoindole-3-amine derivatives in reasonable overall yields based on the starting 2-vinylbenzonitriles. We have also found that transformation of these 1-iodomethyl derivatives into 1-sulfenylmethyl derivatives could be achieved in good yields on treatment with various sodium thiolates.