2-nitro-3,4-dihydro-5,7-dimethylnaphthalene | 1365611-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-nitro-3,4-dihydro-5,7-dimethylnaphthalene
• CAS: 1365611-26-2
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: AWEFXXANBCNGIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-nitro-3,4-dihydro-5,7-dimethylnaphthalene 、 硫代乙酸 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 4.0h， 生成 1-acetylthio-2-nitro-1,2,3,4-tetrahydro-5,7-dimethylnaphthalene
  参考文献：
  名称：

  Enantio- and diastereoselective addition of thioacetic acid to nitroalkenes via N-sulfinyl urea catalysis

  摘要：

  The enantioselective addition of thioacetic acid to nitroalkenes was achieved using N-sulfinyl urea catalysis. In this report, the scope of the reaction was extended to the enantio- and diastereoselective thioacetic acid addition to cyclic alpha,beta-disubstituted nitroalkenes. Additionally, the role of the sulfinyl group was investigated by replacing it with a variety of aryl and sulfonyl groups. Of 15 urea catalysts synthesized and tested, none displayed comparable selectivity to the sulfinyl catalysts, highlighting the importance of the sulfinyl group in attaining high enantioselectivity in the thioacetic acid addition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.048