4-methoxy-10,10-dimethyl-7-phenyl-6a,7,9,10,11,12b-hexahydro-5,8-dioxa-6-thia-benzo[c]phenanthren-12-one-6,6-dioxide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-10,10-dimethyl-7-phenyl-6a,7,9,10,11,12b-hexahydro-5,8-dioxa-6-thia-benzo[c]phenanthren-12-one-6,6-dioxide
• 英文别名: (6aR,7S,12bR)-4-methoxy-10,10-dimethyl-6,6-dioxo-7-phenyl-7,9,11,12b-tetrahydro-6aH-chromeno[3,4-c][1,2]benzoxathiin-12-one
• 化学式: C₂₄H₂₄O₆S
• 分子量: 440.517
• InChiKey: GEDBZTQXOXEDQF-UNWVZKJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-羟基-6-甲氧基苯甲醛 在 potassium carbonate 作用下， 以 水 、 丙酮 为溶剂， 反应 2.0h， 生成 4-methoxy-10,10-dimethyl-7-phenyl-6a,7,9,10,11,12b-hexahydro-5,8-dioxa-6-thia-benzo[c]phenanthren-12-one-6,6-dioxide 、 4-methoxy-10,10-dimethyl-7-phenyl-6a,7,9,10,11,12b-hexahydro-5,8-dioxa-6-thia-benzo[c]phenanthren-12-one-6,6-dioxide
  参考文献：
  名称：

  Efficient access to novel hexahydro-chromene and tetrahydro-pyrano[2,3-d]pyrimidine-annulated benzo-δ-sultones via a domino Knöevenagel-hetero-Diels–Alder reaction in water

  摘要：

  An efficient catalyst-free, diastereosective synthesis of novel hexahydro-chromene and tetrahydro-pyrano[2,3-d]pyrimidine-annulated benzo-delta-sultones is described. A number of 2-formyl-4-phenyl (E)-2-phenylethenesulfonates were synthesized and underwent a one-pot domino Knoevenagel-hetero-Diels-s-Alder reaction, respectively, with dimedone and N,N-dimethylbarbituric acid in water, affording the desired products in moderate to excellent yields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.09.010