(2R,4aR,6S,9aS)-4a-methyl-6-[[(2R,3R,4S,5R,6S)-5-methyl-6-(2-phenylmethoxyethyl)-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl]-2-phenyl-4,8,9,9a-tetrahydro-[1,3]dioxino[5,4-b]oxepin-7-one | 1225339-90-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,4aR,6S,9aS)-4a-methyl-6-[[(2R,3R,4S,5R,6S)-5-methyl-6-(2-phenylmethoxyethyl)-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl]-2-phenyl-4,8,9,9a-tetrahydro-[1,3]dioxino[5,4-b]oxepin-7-one
• CAS: 1225339-90-1
• 化学式: C₄₃H₆₈O₈Si₂
• 分子量: 769.179
• InChiKey: RLHZDAYLTSLLII-JTQGIKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.79
• 重原子数：
  53
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (2R,4aR,6S,9aS)-4a-methyl-6-[[(2R,3R,4S,5R,6S)-5-methyl-6-(2-phenylmethoxyethyl)-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl]-2-phenyl-4,8,9,9a-tetrahydro-[1,3]dioxino[5,4-b]oxepin-7-one 、 乙硫醇 在 zinc trifluoromethanesulfonate 作用下， 以 四氢呋喃 为溶剂， 生成 、
  参考文献：
  名称：

  Synthesis of the ABC Ring Fragment of Brevisin, a New Dinoflagellate Polycyclic Ether

  摘要：

  A polycyclic ether, brevisin was isolated from the red-tide dinoflagellate Karenia brevis. Its unique skeletal structure consists of two separate tricyclic ether assemblies connected by a methylene bridge. The ABC ring fragment of brevisin was synthesized via Suzuki-Miyaura cross coupling toward a total synthesis of brevisin.

  DOI：

  10.3987/com-09-s(s)93
• 作为产物：
  描述：

  C₄₃H₇₀O₈Si₂ 在 四丙基高钌酸铵 、 N-甲基吗啉氧化物 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到(2R,4aR,6S,9aS)-4a-methyl-6-[[(2R,3R,4S,5R,6S)-5-methyl-6-(2-phenylmethoxyethyl)-3,4-bis(triethylsilyloxy)oxan-2-yl]methyl]-2-phenyl-4,8,9,9a-tetrahydro-[1,3]dioxino[5,4-b]oxepin-7-one
  参考文献：
  名称：

  Synthesis of the ABC Ring Fragment of Brevisin, a New Dinoflagellate Polycyclic Ether

  摘要：

  A polycyclic ether, brevisin was isolated from the red-tide dinoflagellate Karenia brevis. Its unique skeletal structure consists of two separate tricyclic ether assemblies connected by a methylene bridge. The ABC ring fragment of brevisin was synthesized via Suzuki-Miyaura cross coupling toward a total synthesis of brevisin.

  DOI：

  10.3987/com-09-s(s)93

文献信息

• Synthesis of the ABC Ring Fragment of Brevisin, a New Dinoflagellate Polycyclic Ether
  作者：Kazuo Tachibana、Masayuki Satake、Naohito Ohtani、Ryosuke Tsutsumi、Takefumi Kuranaga、Tomohiro Shirai、Jeffrey L. C. Wright、Daniel G. Baden

  DOI：10.3987/com-09-s(s)93

  日期：——

  A polycyclic ether, brevisin was isolated from the red-tide dinoflagellate Karenia brevis. Its unique skeletal structure consists of two separate tricyclic ether assemblies connected by a methylene bridge. The ABC ring fragment of brevisin was synthesized via Suzuki-Miyaura cross coupling toward a total synthesis of brevisin.