2,5-Bis[4-[4-[9-[3-(hydroxymethyl)-5-(10-undec-10-enoxydecoxy)phenoxy]nonyl]triazol-1-yl]butoxy]terephthalic acid | 1050217-12-3

• 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: 2,5-Bis[4-[4-[9-[3-(hydroxymethyl)-5-(10-undec-10-enoxydecoxy)phenoxy]nonyl]triazol-1-yl]butoxy]terephthalic acid
• 英文别名: 2,5-bis[4-[4-[9-[3-(hydroxymethyl)-5-(10-undec-10-enoxydecoxy)phenoxy]nonyl]triazol-1-yl]butoxy]terephthalic acid
• CAS: 1050217-12-3
• 化学式: C₉₄H₁₅₂N₆O₁₄
• 分子量: 1590.27
• InChiKey: DWGJCINCOLBVBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  25.7
• 重原子数：
  114
• 可旋转键数：
  82
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  250
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  2,5-Bis[4-[4-[9-[3-(hydroxymethyl)-5-(10-undec-10-enoxydecoxy)phenoxy]nonyl]triazol-1-yl]butoxy]terephthalic acid 在 4-二甲氨基吡啶 、 2-甲基-6-硝基苯甲酸酐 作用下， 以 二氯甲烷 为溶剂， 反应 46.7h， 生成 8,37-Bis(10-undec-10-enoxydecoxy)-4,11,29,33,40,58-hexaoxa-22,23,24,51,52,53-hexazaheptacyclo[29.27.1.12,30.16,10.121,24.135,39.150,53]tetrahexaconta-1(59),2(62),6(64),7,9,21(63),22,30,35(61),36,38,50(60),51-tridecaene-3,32-dione 、
  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：

  Diethyl 2,5-bis[4-[4-[9-[3-(hydroxymethyl)-5-tridec-12-enoxyphenoxy]nonyl]triazol-1-yl]butoxy]benzene-1,4-dicarboxylate 在 氢氧化钾 、 水 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 以100%的产率得到2,5-Bis[4-[4-[9-[3-(hydroxymethyl)-5-(10-undec-10-enoxydecoxy)phenoxy]nonyl]triazol-1-yl]butoxy]terephthalic acid
  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)