5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis(benzoyloxy)-27,28-bis(hydroxy)calix[4]arene | 400642-08-2

• 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: 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis(benzoyloxy)-27,28-bis(hydroxy)calix[4]arene
• 英文别名: 25,26-bis(benzoyloxy)-5,11,17,23-tetrakis(1,1-dimethylethyl)-27,28-dihydroxycalix[4]arene；(26-benzoyloxy-5,11,17,23-tetratert-butyl-27,28-dihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl) benzoate
• CAS: 400642-08-2
• 化学式: C₅₈H₆₄O₆
• 分子量: 857.143
• InChiKey: OEHMEOIVACRJFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  64
• 可旋转键数：
  10
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis(benzoyloxy)-27,28-bis(hydroxy)calix[4]arene 在 三氯化铝 、 甲苯 作用下， 生成
  参考文献：
  名称：

  Synthesis and characterization of imidazole-substituted calix[4]arenes as simple enzyme-mimics with acyltransferase activity

  摘要：

  Calix[4]arenes which bear imidazole groups at different positions at the wide rim act as catalysts for enzyme-like release of p-nitrophenol from p-nitrophenyl esters in buffered solution. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01688-4
• 作为产物：
  描述：

  28-羟基-5,11,17,23-四(2-甲基-2-丙基)五环[19.3.1.13,7.19,13.115,19]二十八-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-十二烯-25,26,27-三基三苯甲酸酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以52%的产率得到5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26-bis(benzoyloxy)-27,28-bis(hydroxy)calix[4]arene
  参考文献：
  名称：

  快速获取杯[4]芳烃的非对称取代的1,3-替代构象物

  摘要：

  报道了一种简单而直接的方案，用于通过在碱性条件下对三苯甲酰基前体进行选择性单脱酰化，然后进行二烷基化，合成第一个非对称取代的杯 [4] 芳烃的 1,3-交替构象异构体。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejoc.200400161

文献信息

• Unexpected Single-Step Formation of 1,2-<i>a</i><i>nti</i>-Heterodisubstituted Calix[4]arenes upon Alkylation of a Tribenzoyl Precursor
  作者：Arjan W. Kleij、Beatriz Souto、César J. Pastor、Pilar Prados、Javier de Mendoza

  DOI：10.1021/jo035150h

  日期：2003.10.1

  The selective preparation and complete structural characterization of a small series of 1,2-anti-hetero-disubstituted calix[4]arenes has been accomplished. These compounds were obtained in two steps from unsubstituted p-tert-butylcalix [4] arene by tribenzoylation and a subsequent one-pot, two-step sequence involving alkylation with simultaneous partial deacylation, resulting in heterodisubstituted calixarenes carrying an alkyl and an aroyl group. The mono-alkyl-tribenzoyl intermediate, prior to in situ deprotection, could also be isolated.
• Synthesis and characterization of imidazole-substituted calix[4]arenes as simple enzyme-mimics with acyltransferase activity
  作者：Günter Dospil、Jürgen Schatz

  DOI：10.1016/s0040-4039(01)01688-4

  日期：2001.10

  Calix[4]arenes which bear imidazole groups at different positions at the wide rim act as catalysts for enzyme-like release of p-nitrophenol from p-nitrophenyl esters in buffered solution. (C) 2001 Elsevier Science Ltd. All rights reserved.
• A Fast Access to Non-Symmetrically Substituted 1,3-Alternate Conformers of Calix[4]arenes
  作者：Arjan W. Kleij、Pilar Prados、Javier de Mendoza

  DOI：10.1002/ejoc.200400161

  日期：2004.7

  A simple and direct protocol is reported for the synthesis of the first non-symmetrically substituted 1,3-alternate conformers of calix[4]arenes by selective mono-deacylation of a tribenzoyl precursor under basic conditions, followed by dialkylation. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  报道了一种简单而直接的方案，用于通过在碱性条件下对三苯甲酰基前体进行选择性单脱酰化，然后进行二烷基化，合成第一个非对称取代的杯 [4] 芳烃的 1,3-交替构象异构体。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)