2-(1-(2-chlorophenyl)-2-nitroethyl)-5-nitroisoindoline-1,3-dione | 1426904-60-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(1-(2-chlorophenyl)-2-nitroethyl)-5-nitroisoindoline-1,3-dione
• 英文别名: 2-[1-(2-Chlorophenyl)-2-nitroethyl]-5-nitroisoindole-1,3-dione；2-[1-(2-chlorophenyl)-2-nitroethyl]-5-nitroisoindole-1,3-dione
• CAS: 1426904-60-0
• 化学式: C₁₆H₁₀ClN₃O₆
• 分子量: 375.725
• InChiKey: NWLMGCCCVGBMES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-硝基邻苯二甲酰亚胺 、 1-chloro-2-(2-nitrovinyl)benzene 在 TEA 作用下， 以 乙腈 为溶剂， 生成 2-(1-(2-chlorophenyl)-2-nitroethyl)-5-nitroisoindoline-1,3-dione
  参考文献：
  名称：

  Asymmetric aza-Michael additions of 4-nitrophthalimide to nitroalkenes and preliminary study of the products for herbicidal activities

  摘要：

  The first application of 4-nitrophthalimide as nitrogen nucleophile for enantioselective aza-Michael addition to nitroalkenes has been developed. The process is promoted by chiral thiourea catalyst derived from cinchonine to give corresponding Michael adducts with up to 87% ee. Activity test showed that some products of the reaction have moderate or good herbicidal activity against cole and barnyard grass at 100 mu g/ml. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.043

文献信息

• Asymmetric aza-Michael additions of 4-nitrophthalimide to nitroalkenes and preliminary study of the products for herbicidal activities
  作者：Shijun Ma、Lulu Wu、Ming Liu、Yaodong Huang、Yongmei Wang

  DOI：10.1016/j.tet.2013.01.043

  日期：2013.3

  The first application of 4-nitrophthalimide as nitrogen nucleophile for enantioselective aza-Michael addition to nitroalkenes has been developed. The process is promoted by chiral thiourea catalyst derived from cinchonine to give corresponding Michael adducts with up to 87% ee. Activity test showed that some products of the reaction have moderate or good herbicidal activity against cole and barnyard grass at 100 mu g/ml. (C) 2013 Elsevier Ltd. All rights reserved.