O-ethyl [1-[(2,6-dichloropyridin-4-yl)-methylamino]-1,7-dioxooctan-4-yl]sulfanylmethanethioate | 1381868-90-1

• 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: O-ethyl [1-[(2,6-dichloropyridin-4-yl)-methylamino]-1,7-dioxooctan-4-yl]sulfanylmethanethioate
• CAS: 1381868-90-1
• 化学式: C₁₇H₂₂Cl₂N₂O₃S₂
• 分子量: 437.411
• InChiKey: MOXODKNUKZORJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  O-ethyl [1-[(2,6-dichloropyridin-4-yl)-methylamino]-1,7-dioxooctan-4-yl]sulfanylmethanethioate 在 过氧化双月桂酰 、 过氧化苯甲酰 作用下， 以 乙酸乙酯 为溶剂， 以60%的产率得到6,8-dichloro-1-methyl-5-(3-oxobutyl)-4,5-dihydro-3H-pyrido[4,3-b]azepin-2-one
  参考文献：
  名称：

  A flexible radical approach to 5-substituted 4,5-dihydro-3H-pyrido[4,3-b]azepin-2-ones. Some mechanistic observations on the radical cyclisation-aromatisation process

  摘要：

  Variously substituted novel dihydropyridoazepinones have been prepared by an intermolecular radical addition followed by a radical cyclisation on a pyridine ring. The latter process involved the use of a combination of two different peroxides, an experimental contrivance resulting from a careful product analysis and a better understanding of the cyclisation step. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.020
• 作为产物：
  描述：

  4-氨基-2,6-二氯吡啶 在 过氧化双月桂酰 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 、 丙酮 为溶剂， 生成 O-ethyl [1-[(2,6-dichloropyridin-4-yl)-methylamino]-1,7-dioxooctan-4-yl]sulfanylmethanethioate
  参考文献：
  名称：

  A flexible radical approach to 5-substituted 4,5-dihydro-3H-pyrido[4,3-b]azepin-2-ones. Some mechanistic observations on the radical cyclisation-aromatisation process

  摘要：

  Variously substituted novel dihydropyridoazepinones have been prepared by an intermolecular radical addition followed by a radical cyclisation on a pyridine ring. The latter process involved the use of a combination of two different peroxides, an experimental contrivance resulting from a careful product analysis and a better understanding of the cyclisation step. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.020

文献信息

• A flexible radical approach to 5-substituted 4,5-dihydro-3H-pyrido[4,3-b]azepin-2-ones. Some mechanistic observations on the radical cyclisation-aromatisation process
  作者：Laurent Petit、Iuliana Botez、André Tizot、Samir Z. Zard

  DOI：10.1016/j.tetlet.2012.04.020

  日期：2012.6

  Variously substituted novel dihydropyridoazepinones have been prepared by an intermolecular radical addition followed by a radical cyclisation on a pyridine ring. The latter process involved the use of a combination of two different peroxides, an experimental contrivance resulting from a careful product analysis and a better understanding of the cyclisation step. (C) 2012 Elsevier Ltd. All rights reserved.