3-Nitrohex-2-ene | 6065-16-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-Nitrohex-2-ene
• CAS: 6065-16-3
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: CEHMJHORJSNKTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2904209090

反应信息

• 作为产物：
  描述：

  2-己烯 在 Iron(III) nitrate nonahydrate 、 2,2,6,6-tetramethyl-piperidine-N-oxyl 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 3-Nitrohex-2-ene 、 (E)-2-nitrohex-2-ene
  参考文献：
  名称：

  A Predictably Selective Nitration of Olefin with Fe(NO₃)₃ and TEMPO

  摘要：

  Ferric nitrate with catalytic TEMPO has been identified as a useful reagent for regio- and stereoselective nitration of a wide variety of aromatic, aliphatic, and heteroaromatic olefins. This reaction provided nitroolefins in preparatively useful yields with excellent E-selectivity. Due to its mild nature and operational simplicity, the present protocol is expected to find application in synthetic setup.

  DOI：

  10.1021/jo400598p

文献信息

• A Predictably Selective Nitration of Olefin with Fe(NO₃)₃ and TEMPO
  作者：Togati Naveen、Soham Maity、Upendra Sharma、Debabrata Maiti

  DOI：10.1021/jo400598p

  日期：2013.6.21

  Ferric nitrate with catalytic TEMPO has been identified as a useful reagent for regio- and stereoselective nitration of a wide variety of aromatic, aliphatic, and heteroaromatic olefins. This reaction provided nitroolefins in preparatively useful yields with excellent E-selectivity. Due to its mild nature and operational simplicity, the present protocol is expected to find application in synthetic setup.