chloropropynal | 39695-58-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代乙炔及其衍生物
• 英文名称: chloropropynal
• 英文别名: Chloropropiolaldehyde；3-chloroprop-2-ynal
• CAS: 39695-58-4
• 化学式: C₃HClO
• 分子量: 88.4933
• InChiKey: KSLQGRKDVSKAHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  chloropropynal 、 benzyl N-benzyl-N-[5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylcyclohexa-1,5-dien-1-yl]carbamate 以 乙醇 、 苯 为溶剂， 以18 mg的产率得到
  参考文献：
  名称：

  Diels–Alder Construction of Regiodifferentiated meta-Amino Phenols and Derivatives

  摘要：

  Synthetic access to regiodifferentiated meta-amino phenols is described. The strategy relies upon distinct deprotonation conditions to afford regioisomeric thermodynamic and kinetic dienes that undergo a tandem Diels-Alder and retro-Diels-Alder sequence with assorted acetylenic dienophiles to afford a range of aromatic products.

  DOI：

  10.1021/ol4034447
• 作为产物：
  描述：

  3-chloropropargyl aldehyde diethyl acetal 在 硫酸 作用下， 生成 chloropropynal
  参考文献：
  名称：

  Diels–Alder Construction of Regiodifferentiated meta-Amino Phenols and Derivatives

  摘要：

  Synthetic access to regiodifferentiated meta-amino phenols is described. The strategy relies upon distinct deprotonation conditions to afford regioisomeric thermodynamic and kinetic dienes that undergo a tandem Diels-Alder and retro-Diels-Alder sequence with assorted acetylenic dienophiles to afford a range of aromatic products.

  DOI：

  10.1021/ol4034447

文献信息

• Diels–Alder Construction of Regiodifferentiated <i>meta</i>-Amino Phenols and Derivatives
  作者：Marisa G. Weaver、Wen-Ju Bai、Stephen K. Jackson、Thomas R. R. Pettus

  DOI：10.1021/ol4034447

  日期：2014.3.7

  Synthetic access to regiodifferentiated meta-amino phenols is described. The strategy relies upon distinct deprotonation conditions to afford regioisomeric thermodynamic and kinetic dienes that undergo a tandem Diels-Alder and retro-Diels-Alder sequence with assorted acetylenic dienophiles to afford a range of aromatic products.