2-(N-Methyl-phenylamino)-4,6-dichlorpyrimidin | 7038-66-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(N-Methyl-phenylamino)-4,6-dichlorpyrimidin
• 英文别名: (4,6-dichloro-pyrimidin-2-yl)-methyl-phenyl-amine；(4,6-Dichlor-pyrimidin-2-yl)-methyl-phenyl-amin；4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
• CAS: 7038-66-6
• 化学式: C₁₁H₉Cl₂N₃
• 分子量: 254.119
• InChiKey: JYQXJUUXAWIMLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-(N-Methyl-phenylamino)-4,6-dichlorpyrimidin 在 2,2,6,6-tetramethylpiperidinylmagnesium chloride lithium chloride complex 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 1.75h， 生成
  参考文献：
  名称：

  Ring Opening of Cyclic Sulfamidates with Magnesiated Heterocycles: Expedient Synthesis of Highly Functionalised Azaindolines and Azatetrahydroquinolines

  摘要：

  Magnesiated chloropyrimidine and chloropyridine derivatives, obtained by deprotonation with TMPMgCl center dot LiCl at room temperature, undergo facile ring-opening reactions with five-and six-membered N-Boc and N-Bn cyclic sulfamidates. After an acidic workup, the adducts undergo rapid intramolecular cyclisation on basification to give highly functionalised stereodefined azaindolines and azatetrahydroquinolines in good yields.

  DOI：

  10.1055/s-0032-1317170
• 作为产物：
  描述：

  2-(N-methyl-anilino)-1H-pyrimidine-4,6-dione 在 三氯氧磷 作用下， 生成 2-(N-Methyl-phenylamino)-4,6-dichlorpyrimidin
  参考文献：
  名称：

  KING; KING; SPENSLEY, Journal of the Chemical Society, 1947, vol. 25, p. 1247 - 1247

  摘要：

  DOI：

文献信息

• KING; KING; SPENSLEY, Journal of the Chemical Society, 1947, vol. 25, p. 1247 - 1247
  作者：KING、KING、SPENSLEY

  DOI：——

  日期：——
• Ring Opening of Cyclic Sulfamidates with Magnesiated Heterocycles: Expedient Synthesis of Highly Functionalised Azaindolines and Azatetrahydroquinolines
  作者：Thomas Moss、Barry Hayter、Ian Hollingsworth、Thorsten Nowak

  DOI：10.1055/s-0032-1317170

  日期：——

  Magnesiated chloropyrimidine and chloropyridine derivatives, obtained by deprotonation with TMPMgCl center dot LiCl at room temperature, undergo facile ring-opening reactions with five-and six-membered N-Boc and N-Bn cyclic sulfamidates. After an acidic workup, the adducts undergo rapid intramolecular cyclisation on basification to give highly functionalised stereodefined azaindolines and azatetrahydroquinolines in good yields.