(3R)-3-[(R)-3-(3,4-dimethoxyphenyl)prop-2-ynoxy-(3,4,5-trimethoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane | 1414335-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3R)-3-[(R)-3-(3,4-dimethoxyphenyl)prop-2-ynoxy-(3,4,5-trimethoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane
• CAS: 1414335-25-3
• 化学式: C₂₉H₃₆O₈
• 分子量: 512.6
• InChiKey: DZXBWNHAHGIDQS-KAYWLYCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  73.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (3R)-3-[(R)-3-(3,4-dimethoxyphenyl)prop-2-ynoxy-(3,4,5-trimethoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane 在 吡啶 、 水 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 生成 [(2R,3R)-3-[3-(3,4-dimethoxyphenyl)prop-2-ynoxy]-2-hydroxy-3-(3,4,5-trimethoxyphenyl)propyl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  Titanocene(III) chloride mediated formal synthesis of magnofargesin and 7′-epimagnofargesin

  摘要：

  Formal synthesis of two bioactive lignans, magnofargesin and 7'-epimagnofargesin has been accomplished in both racemic and optically active forms through titanocene(III) chloride (Cp2TiCl) mediated radical induced cyclization reaction. Ti(III) species was generated in situ from the commercially available titanocene dichloride (Cp2TiCl2) and activated zinc dust in dry THF. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.103
• 作为产物：
  描述：

  1-溴-3,4,5-三甲氧基苯 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 (3R)-3-[(R)-3-(3,4-dimethoxyphenyl)prop-2-ynoxy-(3,4,5-trimethoxyphenyl)methyl]-1,4-dioxaspiro[4.5]decane
  参考文献：
  名称：

  Titanocene(III) chloride mediated formal synthesis of magnofargesin and 7′-epimagnofargesin

  摘要：

  Formal synthesis of two bioactive lignans, magnofargesin and 7'-epimagnofargesin has been accomplished in both racemic and optically active forms through titanocene(III) chloride (Cp2TiCl) mediated radical induced cyclization reaction. Ti(III) species was generated in situ from the commercially available titanocene dichloride (Cp2TiCl2) and activated zinc dust in dry THF. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.103