S-(1-((2,6-dichloropyridin-4-yl)(methyl)amino)-7-(4-fluorophenyl)-1,7-dioxoheptan-4-yl) O-ethyl carbonodithioate | 1381868-98-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(1-((2,6-dichloropyridin-4-yl)(methyl)amino)-7-(4-fluorophenyl)-1,7-dioxoheptan-4-yl) O-ethyl carbonodithioate
• CAS: 1381868-98-9
• 化学式: C₂₂H₂₃Cl₂FN₂O₃S₂
• 分子量: 517.473
• InChiKey: HXVARFJCWFVWOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  32.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59.5
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  S-(1-((2,6-dichloropyridin-4-yl)(methyl)amino)-7-(4-fluorophenyl)-1,7-dioxoheptan-4-yl) O-ethyl carbonodithioate 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， 生成 、 、
  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：

  在 过氧化双月桂酰 、 potassium carbonate 作用下， 以 乙酸乙酯 、 丙酮 为溶剂， 生成 S-(1-((2,6-dichloropyridin-4-yl)(methyl)amino)-7-(4-fluorophenyl)-1,7-dioxoheptan-4-yl) O-ethyl carbonodithioate
  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