(E)-4-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-3,6-dimethyl-2,3-dihydro-benzofuran-2-yl]-2-methyl-but-3-en-2-ol | 914086-85-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: (E)-4-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-3,6-dimethyl-2,3-dihydro-benzofuran-2-yl]-2-methyl-but-3-en-2-ol
• 英文别名: (E)-4-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl]-2-methylbut-3-en-2-ol
• CAS: 914086-85-4
• 化学式: C₂₁H₃₄O₃Si
• 分子量: 362.585
• InChiKey: DEFBFPSNASNSSJ-LYPRJPMSSA-N

物化性质

• 沸点：
  414.0±45.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.57
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-4-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-3,6-dimethyl-2,3-dihydro-benzofuran-2-yl]-2-methyl-but-3-en-2-ol 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 heliannuol G 、 heliannuol H
  参考文献：
  名称：

  Syntheses of heliannuols G and H; structure revision of the natural products

  摘要：

  The structures of the natural heliannuols G and H were established by the enantiocontrolled syntheses of the dihydrobenzofurans predicted for the natural products employing the palladium-mediated cyclization and cross metathesis as the key steps. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.014
• 作为产物：
  描述：

  (S)-4-(2,5-Dimethoxy-4-methyl-phenyl)-pent-1-en-3-ol 在 四(三苯基膦)钯 咪唑 、 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 23.0h， 生成 (E)-4-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-3,6-dimethyl-2,3-dihydro-benzofuran-2-yl]-2-methyl-but-3-en-2-ol
  参考文献：
  名称：

  Syntheses of heliannuols G and H; structure revision of the natural products

  摘要：

  The structures of the natural heliannuols G and H were established by the enantiocontrolled syntheses of the dihydrobenzofurans predicted for the natural products employing the palladium-mediated cyclization and cross metathesis as the key steps. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.014

文献信息

• Syntheses of heliannuols G and H; structure revision of the natural products
  作者：Sachie Morimoto、Mitsuru Shindo、Masahiro Yoshida、Kozo Shishido

  DOI：10.1016/j.tetlet.2006.08.014

  日期：2006.10

  The structures of the natural heliannuols G and H were established by the enantiocontrolled syntheses of the dihydrobenzofurans predicted for the natural products employing the palladium-mediated cyclization and cross metathesis as the key steps. (c) 2006 Elsevier Ltd. All rights reserved.