HOC6H3-2,6-(C6H3-2,6-(i-Pr)2)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: HOC6H3-2,6-(C6H3-2,6-(i-Pr)2)2
• 英文别名: (2,6-(2,6-(i-Pr)2C6H3)2C6H3OH；2,2'',6,6''-Tetraisopropyl-[1,1':3',1''-terphenyl]-2'-ol；2,6-bis[2,6-di(propan-2-yl)phenyl]phenol
• 化学式: C₃₀H₃₈O
• 分子量: 414.631
• InChiKey: AJOFDVMGAUKPRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  HOC6H3-2,6-(C6H3-2,6-(i-Pr)2)2 在 potassium hydride 作用下， 以 甲苯 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study

  摘要：

  在这项工作中，我们通过比较两种半三明治型铒络合物，展示了高性能铒基单离子磁体（SIM）的设计原理。

  DOI：

  10.1039/c9dt01954e
• 作为产物：
  描述：

  2,6-bis(2,6-diisopropylphenyl)phenyllithium 在 甲醇 、 硝基苯 作用下， 以 乙醚 为溶剂， 以69%的产率得到HOC6H3-2,6-(C6H3-2,6-(i-Pr)2)2
  参考文献：
  名称：

  Synthesis and Characterization of the Very Bulky Phenols Ar*OH and Ar′OH (Ar* = C ₆ H ₃ ‐2,6‐Trip ₂ , Trip = C ₆ H ₂ ‐2,4,6‐ i Pr ₃ ; Ar′ = C ₆ H ₃ ‐2,6‐Dipp ₂ , Dipp = C ₆ H ₃ ‐2,6‐ i Pr ₂ ) and Their Lithium and Sodium Derivatives (LiOAr′) ₂ and (NaOAr*) ₂

  摘要：

  AbstractThe very bulky phenols Ar*OH (1) and Ar′OH (2), where Ar* = C6H3‐2,6‐Trip2 (Trip = C6H2‐2,4,6‐iPr3) and Ar′ = C6H3‐2,6‐Dipp2 (Dipp = C6H3‐2,6‐iPr2), as well as their lithium and sodium derivatives (LiOAr*)2 (3), (LiOAr′)2 (4) and (NaOAr*)2 (5) have been synthesized and characterized. The terphenols 1 and 2 were obtained by the reaction of the aryllithium reagents with nitrobenzene and were isolated in ca. 70% yield. The lithium or sodium salts 3−5 were isolated by the reaction of 1 or 2 with nBuLi or sodium metal. All compounds were characterized spectroscopically, and by X‐ray crystallography in the case of 1, 2, 4 and 5. The large terphenyl substituents prevent hydrogen‐bonded association of the phenols 1 and 2. Instead, the O−H hydrogens interact with the π‐electron cloud on one of the flanking Trip or Dipp rings. The dimeric structures of 4 and 5 are relatively rare examples of structurally characterized alkali metal phenoxides that are unsolvated by internal electron pair donors or classical Lewis bases such as ethers or amines. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200300306

文献信息

• N-Heterocyclic Carbene Complexes Of Metal Imido Alkylidenes And Metal OXO Alkylidenes, And The Use Of Same
  申请人：UNIVERSITÄT STUTTGART

  公开号：US20170050994A1

  公开（公告）日：2017-02-23

  The invention relates to an N-heterocyclic carbene complex of general formulas I to IV (I) (II) (III) (IV), according to which A1 stands for NR2 or PR2, A2 stands for CR2 R2′, NR2, PR2, 0 or S, A3 stands for N or P, and C stands for a carbene carbon atom, ring B is an unsubstituted or a mono or poly-substituted 5 to 7-membered ring, substituents R2 and R2′ stand, inter alia, for a linear or branched C1-Cw-alkyl group and, if N and N each stand for NR2 or PR2, are the same or different, M in formulas I, II, III or IV stands for Cr, Mo or W, X 1 or X2 in formulas I to IV are the same or different and represent, inter alia, C1-C1s carboxylates and C1-C1s-alkoxides, Y is inter alia oxygen or sulphur, Z is inter alia a linear or branched C1-Cw-alkylenoxy group, and R 1 and R1′ in formulas I to IV are, inter alia, an aliphatic or aromatic group. These compounds are particularly suitable for use as catalysts for olefin metathesis reactions and have the advantage, compared to known Schrock carbene complexes, of displaying clearly increased tolerance to functional groups such as, in particular, aldehydes, secondary amines, nitriles, carboxylic acids and alcohols.

  该发明涉及一种N-杂环卡宾复合物，其一般公式为I至IV（I）（II）（III）（IV），其中A1代表NR2或PR2，A2代表CR2R2′，NR2，PR2，0或S，A3代表N或P，C代表卡宾碳原子，环B为未取代或单取代或多取代的5至7元环，取代基R2和R2′代表线性或支链的C1-Cw-烷基基团，如果N和N分别代表NR2或PR2，则它们可以相同也可以不同，公式I、II、III或IV中的M代表Cr、Mo或W，公式I至IV中的X1或X2是相同或不同的，代表C1-C1s羧酸盐和C1-C1s-烷氧基等，Y为氧或硫等，Z为线性或支链的C1-Cw-烷氧基基团等，公式I至IV中的R1和R1′为脂肪族或芳香族基团等。这些化合物特别适用作为烯烃重排反应的催化剂，并相比已知的Schrock卡宾复合物，具有明显增强的对官能团的耐受性，特别是对醛、二级胺、腈、羧酸和醇等的耐受性增强。
• Chalcogenide/Chalcogenolate Structural Isomers of Organo Group 13 Element Derivatives: Reactions of the Dimetallenes Ar′MMAr′ (Ar′ = C₆H₃-2,6-(C₆H₃-2,6-Pr<i>ⁱ</i>₂)₂; M = Ga or In) with N₂O or S₈ To Give (Ar′M^IIIE)₂ (E = O or S) and the Synthesis and Characterization of [Ar′EM^I]₂ (M = In or Tl; E = O, S)
  作者：Zhongliang Zhu、Robert J. Wright、Zachary D. Brown、Alexander R. Fox、Andrew D. Phillips、Anne F. Richards、Marilyn M. Olmstead、Philip P. Power

  DOI：10.1021/om900031v

  日期：2009.4.27

  1577(8) Å in 10] are observed. Low oxidation heavier group 13/group 16 chalcogenolate isomers 16−19 of formula [Ar′EM]2 (M = In or Tl, E = O or S) were also synthesized and characterized. In the +1 compounds [Ar′EIn]2 (O, 16; S, 19) together, with the In +3 species [Ar′InE]2 (O, 8; S, 10), represent the first structurally characterized isomeric pairs of organo group 13 metal/chalcogen derivatives. The E−M

  二聚体arylgallium /铟硫属化物7 - 10式[Ar'ME] 2（AR'= C 6 H ^ 3 -2,6- C（6 ħ 3 -2,6-PR我2）2 ; M = Ga或In通过用N 2 O或元素硫对Ar'MMAr'进行处理来合成E，O = S），并通过NMR光谱和X射线晶体学进行表征。它们的结构具有三坐标+3氧化态金属中心和平面M 2 E 2核。对于E = O，芯几乎是完美的正方形，但是对于E = S，它们在7 − 10中变形为平行四边形。所述M-E键长均较较高聚集物种[RME]短Ñ（Ñ ≥4），但与那些以M 3+芳氧基或硫醇盐具有三个坐标金属。短中号...中号分离[2.553（1）在7，2.8882（4）在8，2.8276埃（平均）9，和3.1577（8）一种在10 ]观察。低氧化较重组13 /组16 chalcogenolate异构体16 - 19式[Ar'EM] 2（M = In或Tl，E
• Synthesis of aryloxyaluminium hydrides and their conversion into aryloxyalumoxanes (ArOAlO)n
  作者：Sukesh Shekar、Mamie M. Taylor、Brendan Twamley、Rudolf J. Wehmschulte

  DOI：10.1039/b913607j

  日期：——

  The reaction of bulky phenols with H3Al·NMe3 afforded the new primary phenoxyalanes Mes*OAlH2·NMe3, 2 (Mes* = 2,4,6-tBu3-C6H2-), 2,6-Dipp2C6H3OAlH2·NMe3, 3 (Dipp = 2,6-iPr2C6H3-), and 2,6-Trip2C6H3OAlH2·NMe3, 4 (Trip = 2,4,6-iPr3C6H2-) as colorless crystalline solids. Subsequent reactions of 2,6-tBu2-4-MeC6H2OAlH2·NMe3, 1, and 2 with oxygen sources such as (Me2HSi)2O or Me2SO gave the disiloxyalane 2,6-tBu2-4-Me-C6H2OAl(OSiHMe2)2·NMe3, 5, and the alumoxane (Mes*OAlO·OSMe2)4, 6. The latter compound is a rare example of a species featuring an unsupported eight-membered (Al-O)4 ring. The new compounds were characterized by 1H and 13C1H} NMR and IR spectroscopy and elemental analyses, and compounds 3 and 6 were also characterized by single crystal X-ray diffraction.

  笨重的苯酚与 H3Al-NMe3 反应生成了新的伯氨基苯氧基乙烷 Mes*OAlH2-NMe3, 2（Mes* = 2,4,6-tBu3-C6H2-）、2、6-Dipp2C6H3OAlH2-NMe3，3（Dipp = 2，6-iPr2C6H3-）和 2，6-Trip2C6H3OAlH2-NMe3，4（Trip = 2，4，6-iPr3C6H2-）的无色结晶固体。随后，2,6-tBu2-4-MeC6H2OAlH2-NMe3、1 和 2 与 (Me2HSi)2O 或 Me2SO 等氧源发生反应，生成了二硅氧烷 2,6-tBu2-4-Me-C6H2OAl(OSiHMe2)2-NMe3、5 和铝氧烷 (Mes*OAlO-OSMe2)4、6。后者是一种罕见的具有无支撑八元 (Al-O)4 环的化合物。新化合物的特征是 1H 和 13C1H} NMR 光谱和 IR 光谱。核磁共振和红外光谱以及元素分析对新化合物进行了表征，单晶 X 射线衍射也对化合物 3 和 6 进行了表征。
• Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate
  作者：Brian D. Rekken、Thomas M. Brown、Marilyn M. Olmstead、James C. Fettinger、Philip P. Power

  DOI：10.1021/ic302513c

  日期：2013.3.18

  metathesis routes and represent the first fully characterized monomeric, two-coordinate, lead dichalcogenolates in the solid state. Structural studies showed that the S–Pb–S angle (77.21(4)°) is about 22° narrower than the corresponding O–Pb–O angle. 207Pb NMR and electronic spectroscopy show that the separation between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital

  络合物Pb（ChAr Pri 4）2（Ch = O（1），S（2）; Ar Pri 4 = C 6 H 3 -2,6-（C 6 H 3 -2,6-Pr i 2）2）是通过醇解和盐复分解途径合成的，代表了固态的第一个完全表征的单体，二配位，二卤化二氢四氢萘酸铅。结构研究表明，S–Pb–S角（77.21（4）°）比相应的O–Pb–O角窄约22°。207Pb NMR和电子光谱表明，最高占据分子轨道（HOMO）和最低未占据分子轨道（LUMO）之间的距离从双芳基氧亚plum基变为双硫代巯基衍生物。LiSAr的反应我6与PbBr 2以2：1比例的LED不与Pb（SAR我6）2，但要的monothiolato铅的混合物（II）络合物，铅（BR）（μ-SAR我6） } 2（3）和三硫代铅酸锂锂LiPb（SAr Me 6）3（4）。3和4 通过分级重结晶分离并纯化，并通过X射线晶体学和光谱学研究对两者进行表征。
• Low‐Coordinate Single‐Ion Magnets by Intercalation of Lanthanides into a Phenol Matrix
  作者：Yin‐Shan Meng、Ling Xu、Jin Xiong、Qiong Yuan、Tao Liu、Bing‐Wu Wang、Song Gao

  DOI：10.1002/anie.201801223

  日期：2018.4.16

  It is very challenging to synthesize stable trivalent rare‐earth complexes in which the coordination number is lower than 3 for the high oxidation state, there is a large ion radius and nearly non‐bonding character of trivalent lanthanide ions. The bulky phenol ligand ArOH (Ar=2,6‐Dipp2C6H3, Dipp=2,6‐diisopropylphenyl) was utilized to construct low‐coordinate lanthanide compound [(ArO)Ln(OAr′)] (A

  合成稳定的三价稀土配合物非常困难，其中高氧化态的配位数低于3，离子半径大，三价镧系离子几乎没有键合特性。庞大的酚配体ArOH（Ar = 2,6-Dipp 2 C 6 H 3，Dipp = 2,6-二异丙基苯基）被用于构建低配位镧系元素化合物[（ArO）Ln（OAr'）]（Ar'= 6‐Dipp‐2‐（2′ ‐ i Pr‐6′‐CHMe（CH 2 −）C 6 H 3）C 6 H 3 O −; Ln = Tb，Dy，Ho，Er，Tm）。这些络合物和游离配体ArOH是同构的。磁性测量和理论研究表明，扁圆形的s和扁圆形的analogue类似物均表现出单离子磁体（SIM）的行为。庞大的酚配体提供了强大的单轴配体场，使SIM SIM具有高达961 K的阻断势垒。