Methyl 3-(4-chlorophenyl)-2-(2-propan-2-ylidenecyclopent-3-en-1-yl)azirine-2-carboxylate | 679835-83-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl 3-(4-chlorophenyl)-2-(2-propan-2-ylidenecyclopent-3-en-1-yl)azirine-2-carboxylate
• 英文别名: methyl 3-(4-chlorophenyl)-2-(2-propan-2-ylidenecyclopent-3-en-1-yl)azirine-2-carboxylate
• CAS: 679835-83-7
• 化学式: C₁₈H₁₈ClNO₂
• 分子量: 315.799
• InChiKey: JKRSLAFTVPZISO-UHFFFAOYSA-N

物化性质

• 沸点：
  409.7±55.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-(4-chlorophenyl)-2-(2-propan-2-ylidenecyclopent-3-en-1-yl)azirine-2-carboxylate 在 二异丁基氢化铝 作用下， 生成
  参考文献：
  名称：

  Formal [6+3] cycloaddition of fulvenes with 2H-azirine: a facile approach to the [2]pyrindines system

  摘要：

  2H-Azirine reacts with fulvenes to give either alkylated fulvene azirines (ultrasound) or the formal [6+3] cycloaddition adducts (Lewis acid). The later constitutes an efficient and novel route to [2]pyrindines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.105
• 作为产物：
  描述：

  6,6-二甲基-5-亚甲基-1,3-环戊二烯 、 methyl 2-(4-chlorophenyl)-2H-azirine-3-carboxylate 反应 48.0h， 以75%的产率得到Methyl 3-(4-chlorophenyl)-2-(2-propan-2-ylidenecyclopent-3-en-1-yl)azirine-2-carboxylate
  参考文献：
  名称：

  Formal [6+3] cycloaddition of fulvenes with 2H-azirine: a facile approach to the [2]pyrindines system

  摘要：

  2H-Azirine reacts with fulvenes to give either alkylated fulvene azirines (ultrasound) or the formal [6+3] cycloaddition adducts (Lewis acid). The later constitutes an efficient and novel route to [2]pyrindines. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.12.105

文献信息

• Formal [6+3] cycloaddition of fulvenes with 2H-azirine: a facile approach to the [2]pyrindines system
  作者：Bor-Cherng Hong、Arun Kumar Gupta、Ming-Fun Wu、Ju-Hsiou Liao

  DOI：10.1016/j.tetlet.2003.12.105

  日期：2004.2

  2H-Azirine reacts with fulvenes to give either alkylated fulvene azirines (ultrasound) or the formal [6+3] cycloaddition adducts (Lewis acid). The later constitutes an efficient and novel route to [2]pyrindines. (C) 2003 Elsevier Ltd. All rights reserved.