cyclic S,S,S,O-tert-butylphenolcalixl[4,4]urene | 1266201-18-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: cyclic S,S,S,O-tert-butylphenolcalixl[4,4]urene
• 英文别名: 10,21,32,43-Tetratert-butyl-45,47,49,51-tetrahydroxy-48,50,52-tris(sulfanylidene)-3,6,14,17,25,28,36,39-octazanonacyclo[39.3.1.13,6.18,12.114,17.119,23.125,28.130,34.136,39]dopentaconta-1(44),8(51),9,11,19,21,23(49),30,32,34(47),41(45),42-dodecaen-46-one；10,21,32,43-tetratert-butyl-45,47,49,51-tetrahydroxy-48,50,52-tris(sulfanylidene)-3,6,14,17,25,28,36,39-octazanonacyclo[39.3.1.13,6.18,12.114,17.119,23.125,28.130,34.136,39]dopentaconta-1(44),8(51),9,11,19,21,23(49),30,32,34(47),41(45),42-dodecaen-46-one
• CAS: 1266201-18-6
• 化学式: C₆₀H₈₀N₈O₅S₃
• 分子量: 1089.54
• InChiKey: JPAYZXJJSHXAHR-UHFFFAOYSA-N

物化性质

• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  76
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  220
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-叔丁基-2,6-二甲酰基苯酚 在 sodium tetrahydroborate 、 magnesium(II) nitrate hexahydrate 、 magnesium(II) acetate tetrahydrate 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 17.0h， 生成 cyclic S,S,S,O-tert-butylphenolcalixl[4,4]urene
  参考文献：
  名称：

  Multifarenes: new modular cavitands

  摘要：

  Multifarenes是一类新的大环化合物，由交替的构建单元构成，通过三种互补的合成方法便捷地获得，具备了模块化和可扩展性。除了金属离子配位外，这些腔体化合物随着环尺寸的增大显示出更高的灵活性，为引导客体分子的适应嵌合提供了机会。

  DOI：

  10.1039/c3cc48284g

文献信息

• [EN] POLYCYCLIC COMPOUNDS, TERMED CALIXURENES, AND USES THEREOF<br/>[FR] COMPOSÉS POLYCYCLIQUES APPELÉS CALIXURÈNES ET LEURS UTILISATIONS
  申请人：TECHNION RES & DEV FOUNDATION

  公开号：WO2011018790A1

  公开（公告）日：2011-02-17

  Disclosed is a novel family of macrocyclic compounds, coined calixurenes, which comprises linear and cyclic oligomers composed of alternating moieties of an aromatic unit and a ureatic unit, linked to one another via a bridging moiety. The disclosed calixurenes feature multiple heteroatom-containing groups, and can be designed so as to feature other functionalities, and can thus be used in a variety of applications. Further disclosed are processes of preparing the calixurenes, articles containing same and uses thereof.

  披露了一类新颖的大环化合物家族，被称为卡利克烷（calixurenes），包括由芳香基团和脲基团交替组成的线性和环状寡聚物，通过桥接基团相互连接。披露的卡利克烷具有多个含杂原子的基团，并可设计为具有其他功能，因此可用于各种应用。进一步披露了制备卡利克烷的方法、含有卡利克烷的物品以及其用途。
• POLYCYCLIC COMPOUNDS, TERMED CALIXURENES, AND USES THEREOF
  申请人：Keinan Ehud

  公开号：US20120142912A1

  公开（公告）日：2012-06-07

  Disclosed is a novel family of macrocyclic compounds, coined calixurenes, which comprises linear and cyclic oligomers composed of alternating moieties of an aromatic unit and a ureatic unit, linked to one another via a bridging moiety. The disclosed calixurenes feature multiple heteroatom-containing groups, and can be designed so as to feature other functionalities, and can thus be used in a variety of applications. Further disclosed are processes of preparing the calixurenes, articles containing same and uses thereof.
• US8962605B2
  申请人：——

  公开号：US8962605B2

  公开（公告）日：2015-02-24
• Multifarenes: new modular cavitands
  作者：Galit Parvari、Senthilmurugan Annamalai、Iris Borovoi、Helena Chechik、Mark Botoshansky、Doron Pappo、Ehud Keinan

  DOI：10.1039/c3cc48284g

  日期：——

  Multifarenes, a new class of macrocycles, which are constructed of alternating building blocks, are conveniently accessible by three complementary syntheses that provide modularity and scalability. In addition to metal-ion coordination, these cavitands show increased flexibility with increasing ring size, offering opportunities for induced fit to guest molecules.

  Multifarenes是一类新的大环化合物，由交替的构建单元构成，通过三种互补的合成方法便捷地获得，具备了模块化和可扩展性。除了金属离子配位外，这些腔体化合物随着环尺寸的增大显示出更高的灵活性，为引导客体分子的适应嵌合提供了机会。