4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine | 352197-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: 4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine
• CAS: 352197-91-2
• 化学式: C₈H₇Cl₂NS
• 分子量: 220.122
• InChiKey: GLKBQZDIXSOTTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  38.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 萘烷 为溶剂， 反应 20.0h， 生成 methyl 1,3-dichloro-5,6,7,8-tetrahydro-4-methyl-7-isoquinolinecarboxylate
  参考文献：
  名称：

  1,3-Dihydro-2,2-dioxothieno[3,4-c]pyridines as precursors for pyridine o-quinodimethane systems

  摘要：

  Various pyridine o-quinodimethane systems were generated via thermal extrusion of sulfur dioxide from 1,3-dihydro-2,2-dioxothieno[3,4-c]pyridine precursors and derivatives functionalised in the 1- or 3-position of the sulfolene ring moiety. Depending on the nature of the peri-substituents on the pyridine ring either the E or Z-isomers are formed, which react further via inter- and intramolecular Diels-Alder reactions or via an 1,5-H shift, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00289-7
• 作为产物：
  描述：

  2,6-dichloro-3,4-bis(chloromethyl)-5-methylpyridine 在 sodium sulfide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.5h， 以85%的产率得到4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine
  参考文献：
  名称：

  1,3-Dihydro-2,2-dioxothieno[3,4-c]pyridines as precursors for pyridine o-quinodimethane systems

  摘要：

  Various pyridine o-quinodimethane systems were generated via thermal extrusion of sulfur dioxide from 1,3-dihydro-2,2-dioxothieno[3,4-c]pyridine precursors and derivatives functionalised in the 1- or 3-position of the sulfolene ring moiety. Depending on the nature of the peri-substituents on the pyridine ring either the E or Z-isomers are formed, which react further via inter- and intramolecular Diels-Alder reactions or via an 1,5-H shift, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00289-7

表征谱图