3-(undec-10-yn-1-oxy)-5-(tridec-12-en-1-oxy)benzyl alcohol | 1050216-97-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(undec-10-yn-1-oxy)-5-(tridec-12-en-1-oxy)benzyl alcohol
• 英文别名: (3-Tridec-12-enoxy-5-undec-10-ynoxyphenyl)methanol；(3-tridec-12-enoxy-5-undec-10-ynoxyphenyl)methanol
• CAS: 1050216-97-1
• 化学式: C₃₁H₅₀O₃
• 分子量: 470.736
• InChiKey: PKYUJSCRIQPRMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  34
• 可旋转键数：
  24
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 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：

  diethyl 2,5-bis(4-azidobutoxy)terephthalate 、 3-(undec-10-yn-1-oxy)-5-(tridec-12-en-1-oxy)benzyl alcohol 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 、 叔丁醇 为溶剂， 反应 72.0h， 以66%的产率得到Diethyl 2,5-bis[4-[4-[9-[3-(hydroxymethyl)-5-tridec-12-enoxyphenoxy]nonyl]triazol-1-yl]butoxy]benzene-1,4-dicarboxylate
  参考文献：
  名称：

  The Thread & Cut Method: Syntheses of Molecular Knot Precursors

  摘要：

  AbstractA novel approach to molecular knots is described. This method may allow access to smaller and more complex knots. Two knot precursors, 1a and 1b, are efficiently prepared in overall yields of 9.6 % and 8.7 %, respectively. The convergent six‐step syntheses utilize Fréchet‐type etherifications, alkyne/azide click cycloadditions, and bis‐macrolactonizations.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejoc.200800387
• 作为产物：
  描述：

  13-bromo-1-tridecene 、 3-(undec-10-yn-1-oxy)-5-hydroxybenzyl alcohol 在 18-冠醚-6 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 19.0h， 以73%的产率得到3-(undec-10-yn-1-oxy)-5-(tridec-12-en-1-oxy)benzyl alcohol
  参考文献：
  名称：

  The Thread & Cut Method: Syntheses of Molecular Knot Precursors

  摘要：

  AbstractA novel approach to molecular knots is described. This method may allow access to smaller and more complex knots. Two knot precursors, 1a and 1b, are efficiently prepared in overall yields of 9.6 % and 8.7 %, respectively. The convergent six‐step syntheses utilize Fréchet‐type etherifications, alkyne/azide click cycloadditions, and bis‐macrolactonizations.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

  DOI：

  10.1002/ejoc.200800387

文献信息

• The Thread & Cut Method: Syntheses of Molecular Knot Precursors
  作者：Edward E. Fenlon、Brandon R. Ito

  DOI：10.1002/ejoc.200800387

  日期：2008.6

  AbstractA novel approach to molecular knots is described. This method may allow access to smaller and more complex knots. Two knot precursors, 1a and 1b, are efficiently prepared in overall yields of 9.6 % and 8.7 %, respectively. The convergent six‐step syntheses utilize Fréchet‐type etherifications, alkyne/azide click cycloadditions, and bis‐macrolactonizations.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)