[(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-en-13-yl] trifluoromethanesulfonate | 1246176-62-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-en-13-yl] trifluoromethanesulfonate
• CAS: 1246176-62-4
• 化学式: C₂₀H₂₃F₃O₇S
• 分子量: 464.46
• InChiKey: DPQQAZPHQOMXLR-BHEBFOIGSA-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：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  88.7
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-en-13-yl] trifluoromethanesulfonate 、 9-(3-Benzyloxy-propyl)-9-bora-bicyclo[3.3.1]nonane 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 (1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-13-(3-phenylmethoxypropyl)-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-ene
  参考文献：
  名称：

  Synthesis of the BC/DE ring model of brevisin for confirmation of the structure around the acyclic junction

  摘要：

  Synthesis of the BC/DE ring model of brevisin, a polycyclic ether isolated from the red tide dinoflagellate Karenia brevis, is reported. Comparison of the NMR data of the BC/DE ring model with those corresponding to the same region of brevisin led to the confirmation of its structure around the acyclic juncture. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.001
• 作为产物：
  描述：

  N-苯基双(三氟甲烷磺酰)亚胺 、 (1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-13-one 在 N,N-二甲基丙烯基脲 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 生成 [(1S,3R,6R,8S,11R)-3,11-dimethyl-6-phenyl-2,5,7,12-tetraoxatricyclo[9.4.0.03,8]pentadec-13-en-13-yl] trifluoromethanesulfonate
  参考文献：
  名称：

  Synthesis of the BC/DE ring model of brevisin for confirmation of the structure around the acyclic junction

  摘要：

  Synthesis of the BC/DE ring model of brevisin, a polycyclic ether isolated from the red tide dinoflagellate Karenia brevis, is reported. Comparison of the NMR data of the BC/DE ring model with those corresponding to the same region of brevisin led to the confirmation of its structure around the acyclic juncture. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.001