p-tert-butylsulfinylcalix[4]arene

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: p-tert-butylsulfinylcalix[4]arene
• 英文别名: p-tertbutylsulfonylcalix[4]arene；15,35,55,75-Tetra-tert-butyl-12,32,52,72-tetrahydroxy-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane 2,4,6,8-tetraoxide；5,11,17,23-tetratert-butyl-2,8,14,20-tetraoxo-2λ4,8λ4,14λ4,20λ4-tetrathiapentacyclo[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-dodecaene-25,26,27,28-tetrol
• 化学式: C₄₀H₄₈O₈S₄
• 分子量: 785.08
• InChiKey: KJEYZDTUXRGVPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  226
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  p-tert-butylsulfinylcalix[4]arene 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 72.0h， 以87%的产率得到5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-2,8,14,20-tetraoxide
  参考文献：
  名称：

  杯[4]芳烃由苯胺单元组成。

  摘要：

  DOI：

  10.1021/ja005573q
• 作为产物：
  描述：

  4-叔丁基硫杂杯[4]芳烃 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以28%的产率得到p-tert-butylsulfinylcalix[4]arene
  参考文献：
  名称：

  四亚磺酰基杯[4]芳烃：合成与固态结构分析

  摘要：

  通过四硫杂杯[4]芳烃前体的部分氧化，可以合成两种四硫代氨基杂杯[4]芳烃。在两种情况下，通过固态的X射线衍射研究证明了杯状单元的1，3-交替构型和亚砜基团的交替取向。在四亚硫酰基杯[4]芳烃的情况下，观察到基于芳族基团之间的堆积相互作用的3-D网络。

  DOI：

  10.1016/s0040-4039(98)02586-6

文献信息

• Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters
  作者：Orlando Santoro、Mark R. J. Elsegood、Simon J. Teat、Takehiko Yamato、Carl Redshaw

  DOI：10.1039/d1ra00175b

  日期：——

  We have structurally characterized a number of lithiated calix[4]arenes, where the bridge in the calix[4]arene is thia (–S–, LSH4), sulfinyl (–SO–, LSOH4), sulfonyl (–SO2–, LSO2H4), dimethyleneoxa (–CH2OCH2–, LCOCH4) or methylene (–CH2–, LH4). In the case of L4SH4, interaction with LiOtBu led to the isolation of the complex [Li8(L4S)2(THF)4]·5THF (1·5THF), whilst similar interaction of L4SOH4 led to

  我们已经对一些锂化杯[4]芳烃进行了结构表征，其中杯[4]芳烃中的桥是硫杂（-S-，L S H 4），亚磺酰基（-SO-，L SO H 4），磺酰基(–SO 2 –, L SO2 H 4 )、二亚甲基氧 (–CH 2 OCH 2 –, L COC H 4 ) 或亚甲基 (–CH 2 –, LH 4 )。在 L 4S H 4的情况下，与 LiO t Bu 的相互作用导致络合物 [Li 8 (L 4S ) 2 (THF)的分离4 ]·5THF ( 1 ·5THF)，而L 4SO H 4的类似相互作用导致[Li 6 (L 4SO H) 2 (THF) 2 ]·5(THF) ( 2 ·5THF)的分离。有趣的是，混合的亚磺酰基/磺酰基配合物[Li 8 (calix[4]arene(SO)(SO 2 )(SO 1.68 ) 2 ) 2 (THF) 6 ]·8(THF) ( 3 ·8THF)和[Li 5
• Tetrasulfinylcalix[4]arenes: Synthesis and solid state structural analysis
  作者：Gilles Mislin、Ernest Graf、Mir Wais Hosseini、André De Cian、Jean Fischer

  DOI：10.1016/s0040-4039(98)02586-6

  日期：1999.2

  synthesis of two tetrasulfinylcalix[4]arene was achieved by partial oxidation of tetrathiacalix[4]arene precursors. In both cases, the 1,3-alternate conformation of the calix units and the alternate orientation of the sulfoxide groups were demonstrated by X-ray diffraction studies in the solid state. In the case of tetrasulfinylcalix[4]arene, a 3-D network based on stacking interactions between the

  通过四硫杂杯[4]芳烃前体的部分氧化，可以合成两种四硫代氨基杂杯[4]芳烃。在两种情况下，通过固态的X射线衍射研究证明了杯状单元的1，3-交替构型和亚砜基团的交替取向。在四亚硫酰基杯[4]芳烃的情况下，观察到基于芳族基团之间的堆积相互作用的3-D网络。
• Tetranuclear Manganese(II) Complexes of Thiacalixarene Macrocycles with Trigonal Prismatic Six-Coordinate Geometries:  Synthesis, Structure, and Magnetic Properties
  作者：Cédric Desroches、Guillaume Pilet、Serguei A. Borshch、Stéphane Parola、Dominique Luneau

  DOI：10.1021/ic050507g

  日期：2005.11.1

  Two tetranuclear manganese(II) complexes [Mn(II)4(thiaS)2] (1) and [Mn(II)4(thiaSO)2] (2) have been synthesized under solvothermal conditions in methanol with p-tert-butylthiacalix[4]arene (thiaS) and p-tert-butylsulfinylthiacalix[4]arene (thiaSO). For both complexes, the structure has been established from single-crystal X-ray diffraction. [Mn4(thiaS)2].H2O (1) crystallizes in the orthorhombic Immm

  两种四核锰（II）配合物[Mn（II）4（thiaS）2]（1）和[Mn（II）4（thiaSO）2]（2）在溶剂热条件下在甲醇中与对-叔丁基硫杂杯合成。 [4]芳烃（thiaS）和对-叔丁基亚磺酰基硫杂杯[4]芳烃（thiaSO）。对于这两种络合物，已经从单晶X射线衍射确定了结构。[Mn4（thiaS）2] .H2O（1）在正交晶体Immm（No. 71）空间群中结晶，其参数如下：a = 18.213（5）埃，b = 19.037（5）埃，c = 29.159（5 ）埃，V = 10110（4）埃3，Z =4。[Mn4（thiaSO）2] .H2O（2）在单斜C2 / m（第12号）空间群中结晶，具有以下参数：a = 33.046 （1）埃，b = 19.5363（8）埃，c = 15.7773（9）埃，beta = 115.176（2）度，V = 9218.3（8）埃3，Z = 4。这
• Two MnII2LnIII4 (Ln = Gd, Eu) hexanuclear compounds of p-tert-butylsulfinylcalix[4]arene
  作者：Yanfeng Bi、Xiu-Teng Wang、Bing-Wu Wang、Wuping Liao、Xiaofei Wang、Hongjie Zhang、Song Gao、Deqian Li

  DOI：10.1039/b817515b

  日期：——

  Two 3d-4f heterometallic compounds of p-tert-butylsulfinylcalix[4]arene were synthesized by the solvothermal method and characterized by some hinged double-dumbbell-like subunits in which two perpendicular dumbbell entities were constructed by an in-between isosceles triangle Mn(II)Ln(III)(2), and two tail-to-tail calixarene molecules, and hinged by the lanthanide-sulfinyl group bonding. The magnetic

  通过溶剂热法合成了两个对叔丁基亚磺酰基杯[4]芳烃的3d-4f杂金属化合物，并以一些铰接的双哑铃状亚基为特征，其中，两个等腰三角形Mn（中间等腰线）构成了两个垂直的哑铃实体。 II）Ln（III）（2）和两个尾到尾杯芳烃分子，并通过镧系元素-亚磺酰基键合而铰接在一起。检查了标题化合物的磁性能。
• Generalized Synthesis of Calixarene-Based High-Nuclearity M_4<i>n</i> Nanocages (M = Ni or Co; <i>n</i> = 2–6)
  作者：Kongzhao Su、Feilong Jiang、Jinjie Qian、Yanli Gai、Mingyan Wu、Salem M. Bawaked、Mohamed Mokhtar、Shaeel A. AL-Thabaiti、Maochun Hong

  DOI：10.1021/cg5003836

  日期：2014.6.4

  A family of high-nuclearity M-4n (M = Ni or Co, n = 2-6) coordination nanocages constructed by M-4-calix[4]arene molecular building blocks (MBBs) with inorganic phosphate or organic phosphonate ligands have been isolated by solvothermal syntheses and characterized by single-crystal X-ray diffraction. This family can be divided into five structural types with an increase in the number of M-4-calix[4]arene MBBs, including Ni-8 (1 and 2, n = 2), M-12 (M = Ni (3) and Co (4), n = 3), M-16 (M = Ni (5) and Co (6), n = 4), Co-20 (7, n = 5), and Co-24 (8, n = 6) coordination nanocages. Structural analyses reveal that the metallic cores of 1 and 2 are arranged in chair conformation, while compounds 3-6 with closed-shell structures, where their ports are sealed by sodium ions, present the first examples of 2p-3d heterometallic metal-calixarene nanocages to our knowledge. The novel helmet-like Co-20 (7) is the only one in this family with an open-shell structure, which can be thought of as a truncated octahedral Co-24 (8) nanocage cutting one face. Furthermore, the magnetic behaviors of 1-8 have been investigated, suggesting the existence of strong antiferromagnetic interactions between magnetic centers for all title coordination cages.