1-nitro-5,6-heptadiene | 166323-38-2

• 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: 1-nitro-5,6-heptadiene
• CAS: 166323-38-2
• 化学式: C₇H₁₁NO₂
• 分子量: 141.17
• InChiKey: FCMVYRFAAZGXHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  一氧化碳 、 1-nitro-5,6-heptadiene 、 碘甲烷 在 sodium tetracarbonyl cobaltate 、 N,N-二异丙基乙胺 作用下， 生成 3-(2-Nitro-cyclopentyl)-but-3-en-2-one
  参考文献：
  名称：

  Acylation-cyclization of allenes

  摘要：

  Allenes bearing a nucleophilic group cyclize on treatment with acyltetracarbonyl cobalt complexes in the presence of mild bases. Various nucleophilic groups and cobalt complexes can be used to give highly functionalized pyrrolidines, cyclopentanes and tetrahydrofurans. Disubstituted allenes may be used in the reaction. 1,3-disubstituted allenes give products with high stereoselectivity.

  DOI：

  10.1016/0040-4020(95)00816-q
• 作为产物：
  描述：

  hepta-5,6-dienyl methanesulfonate 在 sodium nitrite 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以59%的产率得到1-nitro-5,6-heptadiene
  参考文献：
  名称：

  Acylation-cyclization of allenes

  摘要：

  Allenes bearing a nucleophilic group cyclize on treatment with acyltetracarbonyl cobalt complexes in the presence of mild bases. Various nucleophilic groups and cobalt complexes can be used to give highly functionalized pyrrolidines, cyclopentanes and tetrahydrofurans. Disubstituted allenes may be used in the reaction. 1,3-disubstituted allenes give products with high stereoselectivity.

  DOI：

  10.1016/0040-4020(95)00816-q

文献信息

• Acylation-cyclization of allenes using acyltetracarbonylcobalt complexes
  作者：Roderick W. Bates、Thota Rama Devi

  DOI：10.1016/0040-4039(94)02297-o

  日期：1995.1

  Allenes bearing tethered nucleophiles undergo acylation-cyclization on treatment with acylcobalt complexes and base.
• Acylation-cyclization of allenes
  作者：Roderick W. Bates、Thota Rama-Devi、Huei-Huei Ko

  DOI：10.1016/0040-4020(95)00816-q

  日期：1995.11

  Allenes bearing a nucleophilic group cyclize on treatment with acyltetracarbonyl cobalt complexes in the presence of mild bases. Various nucleophilic groups and cobalt complexes can be used to give highly functionalized pyrrolidines, cyclopentanes and tetrahydrofurans. Disubstituted allenes may be used in the reaction. 1,3-disubstituted allenes give products with high stereoselectivity.