2-[(2S,4aS,6S,7R,9aR)-7-(tert-Butyl-dimethyl-silanyloxy)-4a-methyl-2-phenyl-hexahydro-1,3,5-trioxa-benzocyclohepten-6-yl]-ethanol | 213766-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: 2-[(2S,4aS,6S,7R,9aR)-7-(tert-Butyl-dimethyl-silanyloxy)-4a-methyl-2-phenyl-hexahydro-1,3,5-trioxa-benzocyclohepten-6-yl]-ethanol
• 英文别名: 2-[(2S,4aS,6S,7R,9aR)-7-[tert-butyl(dimethyl)silyl]oxy-4a-methyl-2-phenyl-4,6,7,8,9,9a-hexahydro-[1,3]dioxino[5,4-b]oxepin-6-yl]ethanol
• CAS: 213766-72-4
• 化学式: C₂₃H₃₈O₅Si
• 分子量: 422.637
• InChiKey: JGKDXGQSECHNHV-SALXWAHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  57.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(2S,4aS,6S,7R,9aR)-7-(tert-Butyl-dimethyl-silanyloxy)-4a-methyl-2-phenyl-hexahydro-1,3,5-trioxa-benzocyclohepten-6-yl]-ethanol 在 咪唑 、 草酰氯 、 四丁基氟化铵 、 甲铝双(2,6-二叔丁基-4-苯甲醚) 、 二异丁基氢化铝 、 二甲基亚砜 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 (2S,4aS,6R,9aR)-6-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-4a-methyl-2-phenyl-hexahydro-1,3,5-trioxa-benzocyclohepten-7-ol
  参考文献：
  名称：

  Synthesis of the E ring of gambierol

  摘要：

  The synthesis of the E ring of gambierol was achieved from D-ribose via the intramolecular reaction of allylstannane with an aldehyde as a key step. The undesired stereoisomer formed in this reaction was converted to the desired product by using DBU isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01311-2
• 作为产物：
  描述：

  (2S,4aS,6S,7R,9aR)-4a-Methyl-2-phenyl-6-vinyl-hexahydro-1,3,5-trioxa-benzocyclohepten-7-ol 在 2,6-二甲基吡啶 、 bis(cyclohexanyl)borane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 2-[(2S,4aS,6S,7R,9aR)-7-(tert-Butyl-dimethyl-silanyloxy)-4a-methyl-2-phenyl-hexahydro-1,3,5-trioxa-benzocyclohepten-6-yl]-ethanol
  参考文献：
  名称：

  Synthesis of the E ring of gambierol

  摘要：

  The synthesis of the E ring of gambierol was achieved from D-ribose via the intramolecular reaction of allylstannane with an aldehyde as a key step. The undesired stereoisomer formed in this reaction was converted to the desired product by using DBU isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01311-2

文献信息

• Synthesis of the E ring of gambierol
  作者：Isao Kadota、Chie Kadowaki、Noriko Yoshida、Yoshinori Yamamoto

  DOI：10.1016/s0040-4039(98)01311-2

  日期：1998.8

  The synthesis of the E ring of gambierol was achieved from D-ribose via the intramolecular reaction of allylstannane with an aldehyde as a key step. The undesired stereoisomer formed in this reaction was converted to the desired product by using DBU isomerization. (C) 1998 Elsevier Science Ltd. All rights reserved.