10,16,22,33,39,45,50,59-Octatert-butyl-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1,7,9,11,14,16,18(63),20,22,24,30,32,34,37(55),38,40,43,45,48,50,52(54),57(64),58,60-tetracosaene-54,55,63,64-tetrol | 215665-88-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 10,16,22,33,39,45,50,59-Octatert-butyl-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1,7,9,11,14,16,18(63),20,22,24,30,32,34,37(55),38,40,43,45,48,50,52(54),57(64),58,60-tetracosaene-54,55,63,64-tetrol
• CAS: 215665-88-6
• 化学式: C₉₂H₁₁₆O₈
• 分子量: 1349.93
• InChiKey: KFGVCJYUAMZVHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.8
• 重原子数：
  100
• 可旋转键数：
  8
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  10,16,22,33,39,45,50,59-Octatert-butyl-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1,7,9,11,14,16,18(63),20,22,24,30,32,34,37(55),38,40,43,45,48,50,52(54),57(64),58,60-tetracosaene-54,55,63,64-tetrol 在 三氟乙酸 、 thallium(III) trifluoroacetate 作用下， 反应 3.0h， 以8%的产率得到10,22,33,45-Tetratert-butyl-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1,7,9,11,14,17,20,22,24,30,32,34,37,40,43,45,48,51,57,60-icosaene-16,39,50,54,55,59,63,64-octone
  参考文献：
  名称：

  双（杯[4]二醌）受体：铯和铷选择性氧化还原活性离子载体

  摘要：

  一类新的氧化还原活性离子载体由通过亚烷基或亚吡啶键连接的两个杯 [4] 二醌部分组成。光谱和电化学研究、X 射线晶体结构分析和分子建模研究表明，该氧化还原活性受体家族的丁烯和丙烯连接成员对铯和铷阳离子表现出显着的选择性偏好和显着的电化学识别效果。

  DOI：

  10.1021/ja029740t
• 作为产物：
  描述：

  5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene 、 1,2-双甲苯氧基乙烷 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以53%的产率得到10,16,22,33,39,45,50,59-Octatert-butyl-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1,7,9,11,14,16,18(63),20,22,24,30,32,34,37(55),38,40,43,45,48,50,52(54),57(64),58,60-tetracosaene-54,55,63,64-tetrol
  参考文献：
  名称：

  双（杯[4]二醌）受体：铯和铷选择性氧化还原活性离子载体

  摘要：

  一类新的氧化还原活性离子载体由通过亚烷基或亚吡啶键连接的两个杯 [4] 二醌部分组成。光谱和电化学研究、X 射线晶体结构分析和分子建模研究表明，该氧化还原活性受体家族的丁烯和丙烯连接成员对铯和铷阳离子表现出显着的选择性偏好和显着的电化学识别效果。

  DOI：

  10.1021/ja029740t

文献信息

• Synthesis of a Calixarene-Based Chiral Phase-Transfer Catalyst Derived from Cinchonine and its Application in Asymmetric Alkylation
  作者：Li Huang、Can Jin、Weike Su

  DOI：10.3184/174751912x13418247519819

  日期：2012.9

  The synthesis of a novel calixarene-based chiral phase-transfer catalyst derived from cinchonine has been achieved in four steps from p-t-butylcalix[4]arene. Its catalytic properties were evaluated over a range of conditions by carrying out the phase-transfer alkylation of N-(diphenylmethylene)glycine t-butyl ester with benzyl bromide. Under the optimal conditions the alkylated product was formed in

  以对丁基杯芳烃[4]芳烃为原料，分四步合成了一种新型杯芳烃基手性相转移催化剂。通过用苄基溴进行 N-（二苯基亚甲基）甘氨酸叔丁酯的相转移烷基化，在一系列条件下评估其催化性能。在最佳条件下，烷基化产物的产率为 96%，ee 为 91%。
• Preparation of Diaza Dioxa Dithia Crown p-tert-Butylcalix[4]arene by S-Alkylation Reactions: Use of Metallo-Calix[4]arene Complexes as Reaction Templates
  作者：Boosayarat Tomapatanaget、Buncha Pulpoka、Thawatchai Tuntulani

  DOI：10.1246/cl.1998.1037

  日期：1998.10

  New nickel-thiolato-calix[4]arene complexes were produced by mean of metal-template synthesis employing S-alkylation of a nickel thiolato complex with a dichloroethyl- or a dibromoethyl-calix[4]arene derivative. Demetallation of a nickel-thiolato-calix[4]arene complex resulted in a p-tert-butylcalix[4]arene derivative containing two N-, two O- and two S-donors.

  新的镍硫醇合杯[4] 芳烃配合物是通过金属模板合成法生产的，采用硫醇镍配合物与二氯乙基-或二溴乙基-杯[4] 芳烃衍生物的 S-烷基化。镍-硫醇基-杯[4]芳烃配合物的脱金属作用产生含有两个N-、两个O-和两个S-供体的对叔丁基杯[4]芳烃衍生物。
• FUNCTIONALIZATION OF CALIX[4]- ARENES AT THE LOWER RIM AND SYNTHESIS OF CALIX[4](AZA)CROWNS
  作者：Chuan-Feng Chen、Qi-Yu Zheng、Yan-Song Zheng、Zhi-Tang Huang

  DOI：10.1081/scc-100105333

  日期：2001.1

  Both a monocalix[4]arene derivative 2 and a biscalix[4]arene 3 were isolated from the products of the reaction of p-tert-butylcalix[4]arene with 1,2-dibromoethane. Treating 2 with 2,6-bis(hydroxymethyl)pyridine, 2-aminophenol or 8-hydroxyquinoline, the calix[4](aza)-crowns 4, 5 or 6 were synthesized, respectively. The 1,3-disubstituted calix[4]arene derivative 8 was obtained by the reaction of p-t

  从对叔丁基杯[4]芳烃与1,2-二溴乙烷的反应产物中分离出单杯[4]芳烃衍生物2和双杯[4]芳烃3。用2,6-双(羟甲基)吡啶、2-氨基苯酚或8-羟基喹啉处理2，分别合成了杯[4](氮杂)-冠4、5或6。通过对叔丁基杯[4]芳烃与对硝基(2-氯乙酰苯胺)反应得到1,3-二取代杯[4]芳烃衍生物8。用 NaBH4 还原 8 得到开放的杯[4](二氮杂)冠化合物 9。
• Calix[4]quinones Derived from Double Calix[4]arenes:  Synthesis, Complexation, and Electrochemical Properties toward Alkali Metal Ions
  作者：Nuttavut Kerdpaiboon、Boosayarat Tomapatanaget、Orawon Chailapakul、Thawatchai Tuntulani

  DOI：10.1021/jo050324b

  日期：2005.6.1

  Bis(calix[4]diquinones) 1 and 2 and double calix[4]diquinone 3 have been synthesized from their corresponding double calix[4]arenes 4, 5, and 6, respectively. Compounds 4−6 have been prepared from one-pot and stepwise syntheses under high pressure. Complexation studies of ligands 1−3 with alkali metal ions such as Li+, Na+, K+, and Cs+ were carried out by 1H NMR titrations. Receptors 1 can selectively

  双（杯[4]二醌）1和2，双杯[4]二醌3已经从其相应的双杯[4]芳烃的合成4，5，和6分别。化合物4 - 6已经从在高压下单罐和逐步合成来制备。配位体络合研究1 - 3与碱金属离子如Li +，钠+，K +和Cs +，通过进行1个1 H NMR滴定。受体1可以与Na选择性地形成1：1的复合物+。配体2倾向于与K +和Cs +形成1：1络合物。受体3在结合K +时保留了杯[4]亚芳基单元的圆锥构象，但在Li +和Na +络合时改变了构象。使用循环伏安法和方波伏安法的电化学研究表明，在存在碱金属离子的情况下，伏安图2和3的变化很大。受体3表现出对Na +和K +的电化学转换结合特性。
• Synthesis of redox-active biscalix[4]quinones and their electrochemical properties
  作者：Kriengkamol Tantrakarn、Chalita Ratanatawanate、Tipsukhon Pinsuk、Orawon Chailapakul、Thawatchai Tuntulani

  DOI：10.1016/s0040-4039(02)02520-0

  日期：2003.1

  Biscalix[4]arenes, 7 and 8, have been synthesized by a one-pot coupling method and a stepwise approach, respectively. A one-pot reaction in a pressurized vessel resulted in the symmetric biscalix[4]arene 7 in high yield. Oxidation of compounds 7 and 8 by Tl(CO2CF3)(3) in CF3COOH yielded biscalix[4]quinones, 9 and 10, respectively. Preliminary electrochemical studies by cyclic voltammetry of 9 and 10 show significant changes of their voltammograms upon addition of Na+. (C) 2002 Elsevier Science Ltd. All rights reserved.