3-(Benzenesulfonyl)-2-cyclohexylidenepropanenitrile | 646066-74-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(Benzenesulfonyl)-2-cyclohexylidenepropanenitrile
• 英文别名: 3-(benzenesulfonyl)-2-cyclohexylidenepropanenitrile
• CAS: 646066-74-2
• 化学式: C₁₅H₁₇NO₂S
• 分子量: 275.371
• InChiKey: YFJDDYCJXJYMMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-chloro-3-phenylsulfonylpropanenitrile 、 硝基环己烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以63%的产率得到3-(Benzenesulfonyl)-2-cyclohexylidenepropanenitrile
  参考文献：
  名称：

  One-pot synthesis of polyfunctionalized α,β-unsaturated nitriles from nitroalkanes

  摘要：

  The reaction of nitroalkanes with 2-chloro-3-phenylsulfonylpropanenitrile, in the presence of three equivalents of DBU at -10degreesC, allows the synthesis of polyfunctionalized alpha,beta-unsaturated nitrites. The method proceeds through three different reactions carried out in a tandem sequence, allowing the one-pot formation of the alpha,beta-unsaturated nitrites, generally, with complete E stereochemistry. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2003.09.211

文献信息

• One-pot synthesis of polyfunctionalized α,β-unsaturated nitriles from nitroalkanes
  作者：Roberto Ballini、Dennis Fiorini、Maria Victoria Gil、Alessandro Palmieri

  DOI：10.1016/j.tetlet.2003.09.211

  日期：2003.12

  The reaction of nitroalkanes with 2-chloro-3-phenylsulfonylpropanenitrile, in the presence of three equivalents of DBU at -10degreesC, allows the synthesis of polyfunctionalized alpha,beta-unsaturated nitrites. The method proceeds through three different reactions carried out in a tandem sequence, allowing the one-pot formation of the alpha,beta-unsaturated nitrites, generally, with complete E stereochemistry. (C) 2003 Elsevier Ltd. All rights reserved.