| 142840-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• CAS: 142840-16-2；142926-89-4
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: INAMOJDMKGKVSF-XQQFMLRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  35.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  在 2-benzylaminopyridinium substituted-borate salt 作用下， 以 氘代甲苯 为溶剂， 反应 8.0h， 生成 endo-2-nitro-exo-3-phenylbicyclo<2.2.1>hept-5-ene
  参考文献：
  名称：

  2-Aminopyridinium Ions Activate Nitroalkenes through Hydrogen Bonding

  摘要：

  2-Aminopyridinium ions were found to activate nitroalkenes toward conjugate addition of heteroaromatic compounds with low catalyst loadings and the Diels-Alder reaction with the periselectivity opposite to that observed with metal Lewis acids, raising the possibility that a 2-aminopyridinium core might be a promising catalaphore for the asymmetric catalyst design.

  DOI：

  10.1021/ol071032v
• 作为产物：
  描述：

  2-nitro-1-phenylethyl acetate 在 四氯化锡 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.67h， 生成
  参考文献：
  名称：

  Inter- and intramolecular [4 + 2] cycloadditions of nitroalkenes with olefins. 2-Nitrostyrenes

  摘要：

  Aromatic nitroalkenes 9-12 underwent Lewis acid catalyzed cycloadditions with various cyclic alkenes to afford high yields of nitronates 25-30 with exclusive anti selectivity. Hammett studies helped to further delineate the role of the Lewis acid. Reaction of nitroalkenes 8 and 10 with various cyclic dienes in the presence of a Lewis acid demonstrated the ability of nitroalkenes to behave as dienes in cycloadditions. The major products were the syn diastereomers which arise from an endo-folded transition structure. Finally, intramolecular cycloaddition of 36-39 allowed a correlation between the stereochemical course of the reaction and positions of sp2 centers in the tether to be addressed.

  DOI：

  10.1021/jo00044a029