6-chloro-9-<(1-bromomethyl)cyclobut-1-ene-3-yl>purine | 146195-91-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 6-chloro-9-<(1-bromomethyl)cyclobut-1-ene-3-yl>purine
• 英文别名: 9-[3-(Bromomethyl)cyclobut-2-en-1-yl]-6-chloropurine
• CAS: 146195-91-7
• 化学式: C₁₀H₈BrClN₄
• 分子量: 299.557
• InChiKey: PJJUIQFBIWQHFV-UHFFFAOYSA-N

物化性质

• 沸点：
  431.1±55.0 °C(Predicted)
• 密度：
  1.93±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-chloro-9-<(1-bromomethyl)cyclobut-1-ene-3-yl>purine 在 氨 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 9-<(1-hydroxymethyl)cyclobut-1-ene-3-yl>adenine
  参考文献：
  名称：

  An efficient synthesis of 9-[(1-hydroxymethyl)-cyclubut-1-ene-3-yl] adenine and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol via regiospecific addition of phenyl selenenyl bromide to the alkene precursor.

  摘要：

  Phenylselenenyl bromide permits the efficient synthesis, in two steps, under mild conditions and in good yield of the allylic bromide 8 from 6-chloro-9-(3-methylidene-1-cyclobutyl) purine 4. Depending on the temperature, 9-[(1-hydroxymethyl)-cyclobut-1-ene-3-yl] adenine 1 and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol 2 were then specifically obtained in two steps.

  DOI：

  10.1016/s0040-4039(00)60857-2
• 作为产物：
  描述：

  6-chloro-9-<(1-bromomethyl-1-phenylselenenyl)cyclobutane-3-yl>purine 在 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 6-chloro-9-<(1-bromomethyl)cyclobut-1-ene-3-yl>purine
  参考文献：
  名称：

  An efficient synthesis of 9-[(1-hydroxymethyl)-cyclubut-1-ene-3-yl] adenine and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol via regiospecific addition of phenyl selenenyl bromide to the alkene precursor.

  摘要：

  Phenylselenenyl bromide permits the efficient synthesis, in two steps, under mild conditions and in good yield of the allylic bromide 8 from 6-chloro-9-(3-methylidene-1-cyclobutyl) purine 4. Depending on the temperature, 9-[(1-hydroxymethyl)-cyclobut-1-ene-3-yl] adenine 1 and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol 2 were then specifically obtained in two steps.

  DOI：

  10.1016/s0040-4039(00)60857-2

文献信息

• An efficient synthesis of 9-[(1-hydroxymethyl)-cyclubut-1-ene-3-yl] adenine and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol via regiospecific addition of phenyl selenenyl bromide to the alkene precursor.
  作者：Tawfik Gharbaoui、Michel Legraverend、Emile Bisagni

  DOI：10.1016/s0040-4039(00)60857-2

  日期：1992.11

  Phenylselenenyl bromide permits the efficient synthesis, in two steps, under mild conditions and in good yield of the allylic bromide 8 from 6-chloro-9-(3-methylidene-1-cyclobutyl) purine 4. Depending on the temperature, 9-[(1-hydroxymethyl)-cyclobut-1-ene-3-yl] adenine 1 and 1-(adenin-9-yl)-3-methylidene-but-1-ene-4-ol 2 were then specifically obtained in two steps.