Ethyl 2-[3-[4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]-2-oxocyclohex-3-en-1-yl]acetate | 1426390-42-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 2-[3-[4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]-2-oxocyclohex-3-en-1-yl]acetate
• 英文别名: ethyl 2-[3-[4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]-2-oxocyclohex-3-en-1-yl]acetate
• CAS: 1426390-42-2
• 化学式: C₂₅H₃₅NO₇
• 分子量: 461.555
• InChiKey: GABRURHDPAHYFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[3-[4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]-2-oxocyclohex-3-en-1-yl]acetate 在 lithium aluminium tetrahydride 、 palladium on activated charcoal 、 氢气 、 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 0.17h， 生成 hexahydroapoerysopine
  参考文献：
  名称：

  Study of aza-cyclization of α,β-unsaturated carbonyl moieties and synthetic application to hexahydroapoerysopine

  摘要：

  Aza-cyclization of alpha,beta-unsaturated carbonyl moieties with free amine has been studied. An azepine alkaloid, hexahydroapoerysopine, has been synthesized from an enone-ester in a concise manner through the aza-cyclization followed by reductions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.093
• 作为产物：
  描述：

  tert-butyl (2-bromo-4,5-dimethoxyphenethyl)carbamate 在 四(三苯基膦)钯 、 正丁基锂 、 sodium carbonate 作用下， 以 乙醇 、 苯酚 为溶剂， 反应 3.0h， 生成 Ethyl 2-[3-[4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]-2-oxocyclohex-3-en-1-yl]acetate
  参考文献：
  名称：

  Study of aza-cyclization of α,β-unsaturated carbonyl moieties and synthetic application to hexahydroapoerysopine

  摘要：

  Aza-cyclization of alpha,beta-unsaturated carbonyl moieties with free amine has been studied. An azepine alkaloid, hexahydroapoerysopine, has been synthesized from an enone-ester in a concise manner through the aza-cyclization followed by reductions. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.093

文献信息

• Study of aza-cyclization of α,β-unsaturated carbonyl moieties and synthetic application to hexahydroapoerysopine
  作者：Hee Dong Kim、Guncheol Kim

  DOI：10.1016/j.tetlet.2013.01.093

  日期：2013.3

  Aza-cyclization of alpha,beta-unsaturated carbonyl moieties with free amine has been studied. An azepine alkaloid, hexahydroapoerysopine, has been synthesized from an enone-ester in a concise manner through the aza-cyclization followed by reductions. (C) 2013 Elsevier Ltd. All rights reserved.