methyl (E)-6-nitrohept-3-enoate | 405928-09-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl (E)-6-nitrohept-3-enoate
• CAS: 405928-09-8
• 化学式: C₈H₁₃NO₄
• 分子量: 187.196
• InChiKey: MMXZAISXBUVDBW-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (E)-6-nitrohept-3-enoate 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 以90%的产率得到methyl (E)-6-nitrohept-2-enoate
  参考文献：
  名称：

  Stereoselective preparation of (E)-ε-nitro-β,γ-unsaturated methyl esters: Amberlyst A 27, using microwave, as superior catalyst for the 1,6-conjugate addition of nitroalkanes to methyl 1,3-butadiene-1-carboxylate

  摘要：

  1,6-Conjugate addition of nitroalkanes to methyl 1,3-b-atadiene-1-carboxylate, performed with Amberlyst A 27, using microwaves and in the absence of any solvent, allows the prevalent formation of the beta,gamma -unsaturated adduct, over the alpha,beta -unsaturated one. The products were exclusively obtained as (E)-isomers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01843-3
• 作为产物：
  描述：

  1-乙酰基环己醇 、 methyl (2E)-penta-2,4-dienoate 在 Amberlyst A 27 作用下， 反应 0.12h， 以70%的产率得到methyl (E)-6-nitrohept-3-enoate
  参考文献：
  名称：

  Stereoselective preparation of (E)-ε-nitro-β,γ-unsaturated methyl esters: Amberlyst A 27, using microwave, as superior catalyst for the 1,6-conjugate addition of nitroalkanes to methyl 1,3-butadiene-1-carboxylate

  摘要：

  1,6-Conjugate addition of nitroalkanes to methyl 1,3-b-atadiene-1-carboxylate, performed with Amberlyst A 27, using microwaves and in the absence of any solvent, allows the prevalent formation of the beta,gamma -unsaturated adduct, over the alpha,beta -unsaturated one. The products were exclusively obtained as (E)-isomers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01843-3