(2,6-Dichloro-4-methylpyridin-3-yl)methanamine | 771579-84-1

• 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: (2,6-Dichloro-4-methylpyridin-3-yl)methanamine
• CAS: 771579-84-1
• 化学式: C₇H₈Cl₂N₂
• mdl: MFCD06212726
• 分子量: 191.06
• InChiKey: FNCCZNFRRPOLCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  321.0±37.0 °C(Predicted)
• 密度：
  1.337±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2,6-Dichloro-4-methylpyridin-3-yl)methanamine 在 吡啶 、 dirhodium tetraacetate 、 sodium chlorite 、 草酰氯 、 4-乙酰氨基苯磺酰叠氮 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 甲基4,6-二氯-3-(二乙基氨基)呋喃并[3,4-c]吡啶-1-羧酸酯
  参考文献：
  名称：

  Methyl 4,6-dichloro-3-diethylaminofuro[3,4-c]pyridine-1-car☐ylate: Synthesis of the first stable azaisobenzofuran by a Hamaguchi-Ibata reaction

  摘要：

  The title compound, an intermediate in the Hamaguchi-Ibata reaction involving the Rh-II-catalysed intramolecular reaction of a diazo group with the carbonyl of an adjacent amido group has been isolated and characterized. PM3 calculations reveal the heat of formation(Delta H-f) of this remarkably stable molecule to be -77.69 kcal/mol. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02414-9
• 作为产物：
  描述：

  3-氰基-4-甲基-2,6-二氯吡啶 在 二异丁基氢化铝 作用下， 以 二氯甲烷 为溶剂， 以66%的产率得到(2,6-Dichloro-4-methylpyridin-3-yl)methanamine
  参考文献：
  名称：

  Methyl 4,6-dichloro-3-diethylaminofuro[3,4-c]pyridine-1-car☐ylate: Synthesis of the first stable azaisobenzofuran by a Hamaguchi-Ibata reaction

  摘要：

  The title compound, an intermediate in the Hamaguchi-Ibata reaction involving the Rh-II-catalysed intramolecular reaction of a diazo group with the carbonyl of an adjacent amido group has been isolated and characterized. PM3 calculations reveal the heat of formation(Delta H-f) of this remarkably stable molecule to be -77.69 kcal/mol. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02414-9

文献信息

• Methyl 4,6-dichloro-3-diethylaminofuro[3,4-c]pyridine-1-car☐ylate: Synthesis of the first stable azaisobenzofuran by a Hamaguchi-Ibata reaction
  作者：Tarun K. Sarkar、Sunil K. Ghosh、Sandip K. Nandy、Tahsin J. Chow

  DOI：10.1016/s0040-4039(98)02414-9

  日期：1999.1

  The title compound, an intermediate in the Hamaguchi-Ibata reaction involving the Rh-II-catalysed intramolecular reaction of a diazo group with the carbonyl of an adjacent amido group has been isolated and characterized. PM3 calculations reveal the heat of formation(Delta H-f) of this remarkably stable molecule to be -77.69 kcal/mol. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.