Naphthalen-1-yl-carbamic acid 6-[1-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pent-3-ynyl]-2,2,6-trimethyl-tetrahydro-pyran-3-yl ester | 148680-42-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Naphthalen-1-yl-carbamic acid 6-[1-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pent-3-ynyl]-2,2,6-trimethyl-tetrahydro-pyran-3-yl ester
• CAS: 148680-42-6
• 化学式: C₂₉H₃₇NO₆
• 分子量: 495.616
• InChiKey: KWOAVEOFQHAGFF-UHFFFAOYSA-N

物化性质

• 沸点：
  633.4±55.0 °C(predicted)
• 密度：
  1.21±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  36.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  86.25
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Naphthalen-1-yl-carbamic acid 6-[1-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pent-3-ynyl]-2,2,6-trimethyl-tetrahydro-pyran-3-yl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以91%的产率得到Naphthalen-1-yl-carbamic acid 6-[1-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentyl]-2,2,6-trimethyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Diastereoselective synthesis of the saponaceolide tricyclic spiroketal substructure

  摘要：

  Starting from geraniol we prepared the tricyclic spiroketal substructure 5a of saponaceolide molecules. Cis- and trans- tetrahydropyran linalool oxides 18a and 18b were also synthesized during these studies.

  DOI：

  10.1016/s0040-4039(00)77656-8
• 作为产物：
  描述：

  Methanesulfonic acid 2-hydroxy-2-[2,6,6-trimethyl-5-(naphthalen-1-ylcarbamoyloxy)-tetrahydro-pyran-2-yl]-ethyl ester 在 正丁基锂 、 三氟化硼乙醚 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 17.0h， 生成 Naphthalen-1-yl-carbamic acid 6-[1-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pent-3-ynyl]-2,2,6-trimethyl-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Diastereoselective synthesis of the saponaceolide tricyclic spiroketal substructure

  摘要：

  Starting from geraniol we prepared the tricyclic spiroketal substructure 5a of saponaceolide molecules. Cis- and trans- tetrahydropyran linalool oxides 18a and 18b were also synthesized during these studies.

  DOI：

  10.1016/s0040-4039(00)77656-8