4-[11,23-Ditert-butyl-17-(3-carboxypropanoyl)-25,26,27,28-tetrahydroxy-5-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]-4-oxobutanoic acid | 883904-56-1

• 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: 4-[11,23-Ditert-butyl-17-(3-carboxypropanoyl)-25,26,27,28-tetrahydroxy-5-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]-4-oxobutanoic acid
• 英文别名: 4-[11,23-ditert-butyl-17-(3-carboxypropanoyl)-25,26,27,28-tetrahydroxy-5-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]-4-oxobutanoic acid
• CAS: 883904-56-1
• 化学式: C₄₄H₄₈O₁₀
• 分子量: 736.859
• InChiKey: AGWNECSBBOGUKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  190
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-[11,23-Ditert-butyl-17-(3-carboxypropanoyl)-25,26,27,28-tetrahydroxy-5-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]-4-oxobutanoic acid 在 sodium hydroxide 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成
  参考文献：
  名称：

  New water-soluble calix[4]arene-based bipyridyl podands incorporating carboxylate groups

  摘要：

  New calixarene-based bis-bipyridyl podands incorporating two sodium (4-oxo)-butanoate or four sodium carboxymethyl groups at the upper rim were synthesised and fully characterised. The (4-oxo)-butanoate derivative bearing unsubstituted bipyridyl arms was not soluble in water at neutral pH, while its 4,4'-dicarboxylate analogue was perfectly soluble, as were the carboxymethyl derivatives. The association of water solubility to the chelating behaviour of the bipyridyl subunits resulted in the ability to complex the unstable copper(I) cation in water, even in the presence of bovine serum albumin. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.088
• 作为产物：
  描述：

  25,27-dibenzoyl-26,28-dihydroxy-11,23-di-(tert-butyl)calix[4]arene 在 sodium hydroxide 、 三氯化铝 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 4-[11,23-Ditert-butyl-17-(3-carboxypropanoyl)-25,26,27,28-tetrahydroxy-5-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]-4-oxobutanoic acid
  参考文献：
  名称：

  New water-soluble calix[4]arene-based bipyridyl podands incorporating carboxylate groups

  摘要：

  New calixarene-based bis-bipyridyl podands incorporating two sodium (4-oxo)-butanoate or four sodium carboxymethyl groups at the upper rim were synthesised and fully characterised. The (4-oxo)-butanoate derivative bearing unsubstituted bipyridyl arms was not soluble in water at neutral pH, while its 4,4'-dicarboxylate analogue was perfectly soluble, as were the carboxymethyl derivatives. The association of water solubility to the chelating behaviour of the bipyridyl subunits resulted in the ability to complex the unstable copper(I) cation in water, even in the presence of bovine serum albumin. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.088

文献信息

• New water-soluble calix[4]arene-based bipyridyl podands incorporating carboxylate groups
  作者：Maxime Mourer、Jean-Bernard Regnouf-de-Vains

  DOI：10.1016/j.tetlet.2006.01.088

  日期：2006.3

  New calixarene-based bis-bipyridyl podands incorporating two sodium (4-oxo)-butanoate or four sodium carboxymethyl groups at the upper rim were synthesised and fully characterised. The (4-oxo)-butanoate derivative bearing unsubstituted bipyridyl arms was not soluble in water at neutral pH, while its 4,4'-dicarboxylate analogue was perfectly soluble, as were the carboxymethyl derivatives. The association of water solubility to the chelating behaviour of the bipyridyl subunits resulted in the ability to complex the unstable copper(I) cation in water, even in the presence of bovine serum albumin. (c) 2006 Elsevier Ltd. All rights reserved.