25,26,27-Tris(2-ethoxyethoxy)-28-[2-(2-prop-2-enoxyethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene | 883239-68-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,26,27-Tris(2-ethoxyethoxy)-28-[2-(2-prop-2-enoxyethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
• 英文别名: 25,26,27-tris(2-ethoxyethoxy)-28-[2-(2-prop-2-enoxyethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
• CAS: 883239-68-7
• 化学式: C₄₇H₆₀O₉
• 分子量: 768.988
• InChiKey: NMPOOLMEKCCEFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  56
• 可旋转键数：
  24
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  83.1
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  25,26,27-Tris(2-ethoxyethoxy)-28-[2-(2-prop-2-enoxyethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene 在 palladium on activated charcoal 对甲苯磺酸 、 pyridinium hydrobromide perbromide 作用下， 以 甲醇 、 乙醇 、 氯仿 、 水 为溶剂， 生成 2-[2-[[5,11,17,23-Tetrabromo-26,27,28-tris(2-ethoxyethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethoxy]ethanol
  参考文献：
  名称：

  Development of calixarene-based host molecules for peptides in aqueous media

  摘要：

  We synthesized a peptidocalix[4]arene library consisting of 1000 members that was suitable for peptide recognition in aqueous media. Some peptidocalix[4]arenes in the library were host molecules for guest peptides. Electrostatic interaction between the host and guest molecules was the most important factor for binding in aqueous media. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.078
• 作为产物：
  描述：

  allyl diethylene glycol toluene-p-sulfonate 在 sodium hydride 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 25,26,27-Tris(2-ethoxyethoxy)-28-[2-(2-prop-2-enoxyethoxy)ethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
  参考文献：
  名称：

  Development of calixarene-based host molecules for peptides in aqueous media

  摘要：

  We synthesized a peptidocalix[4]arene library consisting of 1000 members that was suitable for peptide recognition in aqueous media. Some peptidocalix[4]arenes in the library were host molecules for guest peptides. Electrostatic interaction between the host and guest molecules was the most important factor for binding in aqueous media. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.078

文献信息

• Development of calixarene-based host molecules for peptides in aqueous media
  作者：Miwa Kubo、Emi Nashimoto、Tatsuro Tokiyo、Yasushi Morisaki、Mitsuaki Kodama、Hideaki Hioki

  DOI：10.1016/j.tetlet.2006.01.078

  日期：2006.3

  We synthesized a peptidocalix[4]arene library consisting of 1000 members that was suitable for peptide recognition in aqueous media. Some peptidocalix[4]arenes in the library were host molecules for guest peptides. Electrostatic interaction between the host and guest molecules was the most important factor for binding in aqueous media. (c) 2006 Elsevier Ltd. All rights reserved.