p-tert-butyltetrahomo-dioxacalix[6]arene | 331433-51-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: p-tert-butyltetrahomo-dioxacalix[6]arene
• 英文别名: p-tert-butyltetrahomodioxacalix[6]areneH₆；5,11,19,25,31,39-Hexatert-butyl-15,35-dioxaheptacyclo[35.3.1.13,7.19,13.117,21.123,27.129,33]hexatetraconta-1(41),3,5,7(46),9(45),10,12,17,19,21(44),23(43),24,26,29(42),30,32,37,39-octadecaene-41,42,43,44,45,46-hexol
• CAS: 331433-51-3
• 化学式: C₆₈H₈₈O₈
• 分子量: 1033.44
• InChiKey: CMHTXDRGBVVVJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.9
• 重原子数：
  76
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  140
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [W(1,2-ethanediolato)3] 、 p-tert-butyltetrahomo-dioxacalix[6]arene 以 甲苯 、 乙腈 为溶剂， 反应 84.0h， 以69.1%的产率得到{[WO(ethyleneglycol)]₂p-tert-butyltetrahomodioxacalix[6]-areneH₂}
  参考文献：
  名称：

  杯[6和8]芳烃的乙二醇钨配合物：ε-己内酯的合成，表征和ROP †

  摘要：

  通过改变反应条件，[W（eg）3 ]（例如= 1,2-乙二醇）与对叔丁基杯[ n ]芳烃H n（n = 6或8）在回流的甲苯中反应，可进行以下工作-up，许多产品已被充分表征。从对-叔丁基杯[6] areneH 6与一或两个当量的[W（eg）3 ]反应，仅氧桥联络合物{[W（eg）] 2（μ-O）p-tert -butylcalix [6] arene}（1）可以被分离，而在分子筛存在下使用四当量的[W（eg）3 ]可得到{[W（eg）2 ] 2对叔丁基丁基杯[6] areneH 2 }·2MeCN（ 2）；2个分子组成双层包装。在相似的条件下，使用一或两个当量的[W（eg） 3 ]和对叔丁基杯[8] areneH 8得到{[W（eg]] 2对叔丁基杯[8] arene}·MeCN （ 3）其中每个钨中心被四个杯芳烃氧键合。相比之下，同步加速器辐射显示，使用四当量的[W（eg） 3 ]和对叔丁基杯[8]

  DOI：

  10.1039/c4dt01936a
• 作为产物：
  描述：

  3-<3-<3-(Hydroxymethyl)-5-tert-butylsalicyl>-5-tert-butylsalicyl>-5-tert-butyl-2-hydroxybenzyl Alcohol 以 xylene 为溶剂， 反应 8.0h， 以63%的产率得到p-tert-butyltetrahomo-dioxacalix[6]arene
  参考文献：
  名称：

  New Parent Homooxacalixarenes through Thermal Dehydration of a Bishydroxymethylated Triphenol

  摘要：

  DOI：

  10.1021/jo005673e

文献信息

• Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters
  作者：Tian Xing、Timothy J. Prior、Kai Chen、Carl Redshaw

  DOI：10.1039/d1dt00189b

  日期：——

  equivalents) or [TiBr4] (>four equivalents) resulted in the titanium-based azacalix[n]arene complexes [Ti4F14L2H2(H)2]·2.5MeCN (3·2.5MeCN), [Ti2X4(H2O)2OL2H2(H)2] (X = Cl (4·5MeCN), Br (5·4.5MeCN) and [Ti4Br12L2(H)2(MeCN)6]·7MeCN (6·7MeCN), respectively. Reaction of four equivalents of [TiF4] with L3H4 (L3H4 = p-methyl-dimethyldiazacalix[4]areneH4) afforded the product [Ti2F2(μ-F)3L3(H)2(SiF5)]·2MeCN (7·2MeCN)

  后处理（MeCN）后，过量的[Ti（OiPr）4 ]与对叔丁基四homoxoxacalix [6] areneH 6（L 1 H 6）反应，得到配合物[Ti 2（OiPr）2（MeCN）L 1 ]·3.5MeCN（1 ·3.5MeCN），而氧络合物钛[Ti 4（μ 3 -O）2（H 2 O）（L 1）2 ]·的MeCN（2 ·MeCN中）分离，通过一个偶然的合成涉及使用[Ti（OiPr）4 ]的两个等价物。p的反应-甲基-二甲基二氮杂杯[6]芳烃H 6（L 2 H 6）与[TiF 4 ]（四当量），[TiCl 4（THF）2 ]（两当量）或[TiBr 4 ]（>四当量）导致钛基氮杂杯[ n ]芳烃配合物[Ti 4 F 14 L 2 H 2（H）2 ]·2.5MeCN（3 ·2.5MeCN），[Ti 2 X 4（H 2 O）2 OL 2 H 2（H ）2 ]（X = Cl（4·5MeCN），Br（5
• Complexes of uranium(<scp>iv</scp>) with acyclic polyphenoxides resulting from cleavage of homooxacalixarenes
  作者：Lionel Salmon、Pierre Thuéry、Michel Ephritikhine、Bernardo Masci

  DOI：10.1039/b302809g

  日期：——

  polyphenoxide complexes of U(IV). Coordination of L1 to UCl4 yields the neutral complex [UCl4(L1)] and, on further heating, the cationic [UCl2(L1)2]2+ species, whereas (L2)− gives only the neutral compound [UCl3(L2)]. In these three complexes, the metal atom is in slightly distorted octahedral environments, with bonding to all phenoxide groups. These are the first instances of U(IV) complexes with polyphenoxide

  的反应 氯化铀4 与草甘膦 吡啶 导致醚桥在亲核攻击下被裂解。 吡啶，可能是由U（IV）离子辅助的。两性离子苯酚双[5-叔丁基-2-氧化-3-（1-吡啶碘甲基）-苯基]甲烷大号1从形成p -叔-butyltetrahomodioxacalix [4]芳烃，p -叔-butylhexahomotrioxacalix [6]芳烃或p -叔-butyloctahomotetraoxacalix [8]芳烃和两性离子物种三苯4-叔丁基-2,6-双[由对-叔丁基四高二恶二acalix [6]芳烃形成的5-叔丁基-2-氧化-3-（1-吡啶碘甲基）-苄基]酚盐（L 2）-形成U（IV）的多酚盐配合物。L 1与氯化铀4产生中性络合物[UCl 4（L 1）]，并在进一步加热下产生阳离子[UCl 2（L 1）2 ] 2+物种，而（L 2）-仅产生中性化合物[UCl 3（L 2））]。在这三个络合物中，金属原子
• Reprint of “Cobalt(II) complexes of calix[6]arenes: Crystallographic studies into heteroatom bridge influence over discrete versus polymeric structure formation”
  作者：Ross McLellan、Kayleigh M. Kennedy、Maxime Denis、Ruaraidh D. McIntosh、Euan K. Brechin、Scott J. Dalgarno

  DOI：10.1016/j.poly.2013.07.026

  日期：2013.11

  Methylene-bridged calix[4]arenes have emerged as excellent ligands for polynuclear cluster formation. In this contribution methylene- and oxa-bridged calix[6]arenes have been examined as candidates for cluster formation with cobalt(II) nitrate, affording two markedly different structures. The nature of the structures is highly dependent on the bridging atoms. Reaction of p-tert-butylcalix[6]arene with cobalt(II) nitrate in DMF results in the formation of a coordination polymer in which the calixarene adopts a 'double-partial' cone conformation. A similar reaction with p-tert-butyltetrahomodioxacalix[6]arene affords a discrete complex in which a central heteroatom also coordinates to the metal centre, with the calixarene in a 'double-cone' conformation. The synthesis and structure of both compounds is presented. (C) 2013 Published by Elsevier Ltd.
• Cobalt(II) complexes of calix[6]arenes: Crystallographic studies into heteroatom bridge influence over discrete versus polymeric structure formation
  作者：Ross McLellan、Kayleigh M. Kennedy、Maxime Denis、Ruaraidh D. McIntosh、Euan K. Brechin、Scott J. Dalgarno

  DOI：10.1016/j.poly.2013.02.072

  日期：2013.5

  Methylene-bridged calix[4]arenes have emerged as excellent ligands for polynuclear cluster formation. In this contribution methylene- and oxa-bridged calix[6]arenes have been examined as candidates for cluster formation with cobalt(II) nitrate, affording two markedly different structures. The nature of the structures is highly dependent on the bridging atoms. Reaction of p-tert-butylcalix[6]arene with cobalt(II) nitrate in DMF results in the formation of a coordination polymer in which the calixarene adopts a 'double-partial' cone conformation. A similar reaction with p-tert-butyltetrahomodioxacalix[6]arene affords a discrete complex in which a central heteroatom also coordinates to the metal centre, with the calixarene in a 'double-cone' conformation. The synthesis and structure of both compounds is presented. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.
• Ethyleneglycol tungsten complexes of calix[6 and 8]arenes: synthesis, characterization and ROP of ε-caprolactone
  作者：Yuanzhuo Li、Ke-Qing Zhao、Chun Feng、Mark R. J. Elsegood、Timothy J. Prior、Xinsen Sun、Carl Redshaw

  DOI：10.1039/c4dt01936a

  日期：——

  Under similar conditions, use of one or two equivalents of [W(eg)3] and p-tert-butylcalix[8]areneH8 afforded [W(eg)]2p-tert-butylcalix[8]arene}·MeCN (3) in which each tungsten centre was bound by four calixarene oxygens. By contrast, the small orange prisms resulting from the use of four equivalents of [W(eg)3] and p-tert-butylcalix[8]areneH8 were shown by synchrotron radiation to be a mixture of two isomers

  通过改变反应条件，[W（eg）3 ]（例如= 1,2-乙二醇）与对叔丁基杯[ n ]芳烃H n（n = 6或8）在回流的甲苯中反应，可进行以下工作-up，许多产品已被充分表征。从对-叔丁基杯[6] areneH 6与一或两个当量的[W（eg）3 ]反应，仅氧桥联络合物[W（eg）] 2（μ-O）p-tert -butylcalix [6] arene}（1）可以被分离，而在分子筛存在下使用四当量的[W（eg）3 ]可得到[W（eg）2 ] 2对叔丁基丁基杯[6] areneH 2 }·2MeCN（ 2）；2个分子组成双层包装。在相似的条件下，使用一或两个当量的[W（eg） 3 ]和对叔丁基杯[8] areneH 8得到[W（eg]] 2对叔丁基杯[8] arene}·MeCN （ 3）其中每个钨中心被四个杯芳烃氧键合。相比之下，同步加速器辐射显示，使用四当量的[W（eg） 3 ]和对叔丁基杯[8]