Benzoic acid (2R,4aR,6S,7R,8R,8aS)-8-difluoromethyl-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester | 191024-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• 英文名称: Benzoic acid (2R,4aR,6S,7R,8R,8aS)-8-difluoromethyl-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester
• CAS: 191024-63-2
• 化学式: C₂₂H₂₂F₂O₆
• 分子量: 420.41
• InChiKey: SJVYSEDRSRWBLI-MEILYROSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  63.22
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Benzoic acid (2R,4aR,6S,7R,8R,8aS)-8-difluoromethyl-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester 在 咪唑 、 三氟化硼乙醚 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Highly stereoselective route to aldol products incorporating fluorine-containing methyl groups starting from a single d-glucose-derived intermediate

  摘要：

  Chiral aldol structures with fluorine modifications on a methyl group have been realized by utilization of the relatively rigid cyclic intermediates from the very common chiral pool compound, D-glucose, leading to attainment of the high diastereoselectivities as well as construction of differently fluorinated target materials from a single intermediate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00120-1
• 作为产物：
  描述：

  methyl 2-O-benzoyl-4,6-di-O-benzylidene-α-D-glucopyranoside 在 palladium on activated charcoal 六甲基磷酰三胺 、 Swern oxidation agent 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 Benzoic acid (2R,4aR,6S,7R,8R,8aS)-8-difluoromethyl-6-methoxy-2-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxin-7-yl ester
  参考文献：
  名称：

  Highly stereoselective route to aldol products incorporating fluorine-containing methyl groups starting from a single d-glucose-derived intermediate

  摘要：

  Chiral aldol structures with fluorine modifications on a methyl group have been realized by utilization of the relatively rigid cyclic intermediates from the very common chiral pool compound, D-glucose, leading to attainment of the high diastereoselectivities as well as construction of differently fluorinated target materials from a single intermediate. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00120-1