2,2'-dimethoxy-4,4'-dimethylbiphenyl | 260395-85-5

• 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: 2,2'-dimethoxy-4,4'-dimethylbiphenyl
• 英文别名: 2,2'-Dimethoxy-4,4'-dimethyl biphenyl；2-methoxy-1-(2-methoxy-4-methylphenyl)-4-methylbenzene
• CAS: 260395-85-5
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: MSTVJGNONFROOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2'-dimethoxy-4,4'-dimethylbiphenyl 在 chromium(VI) oxide 、 盐酸 、 磷化氢 、 氢溴酸 、 氢碘酸 、 乙酸酐 、 溶剂黄146 作用下， 生成 3-甲基二苯并呋喃
  参考文献：
  名称：

  Sugii; Shindo, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1934, vol. 54, p. 829,833

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲氧基-4-甲基苯胺 在 盐酸 、 palladium 10% on activated carbon 、 锌 、 sodium nitrite 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 生成 2,2'-dimethoxy-4,4'-dimethylbiphenyl
  参考文献：
  名称：

  Synthesis of cell-permeable stapled BH3 peptide-based Mcl-1 inhibitors containing simple aryl and vinylaryl cross-linkers

  摘要：

  We report the synthesis of a series of distance-matching aryl and vinylaryl cross-linkers for constructing stapled peptides containing cysteines at i,i+7 positions. Langevin dynamics simulation studies helped to classify these cross-linkers into two categories: the rigid cross-linkers with narrower S S distance distribution and the flexible cross-linkers with wider S S distance distribution. The stapled Noxa BH3 peptides with the flexible distance-matching cross-linkers gave the highest degree of helicity as well as the most potent inhibitory activity against Mcl-1. However, the stapled peptides with the highest hydrophobicity showed the most efficient cellular uptake. Together, this work illustrates the divergent nature of binding affinity and cellular uptake, and the vital importance of choosing appropriate cross-linkers in constructing stapled peptides with the drug-like properties. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.05.104

文献信息

• BASE GENERATOR
  申请人：Eternal Chemical Co., Ltd.

  公开号：US20130172569A1

  公开（公告）日：2013-07-04

  The present invention provides a base generator having the structure of formula (1): wherein R 1 , R 2 , R 3 , R 4 , R 5 , and Y circle around (−)} are defined as in the specification. The base generator of the present invention can be used for imidization of a polyimide precursor, promoting crosslinking of epoxy monomers, or crosslinking of polyurethane or polyurea.

  本发明提供了一种具有公式（1）结构的碱发生器： 其中R1、R2、R3、R4、R5和Ycircle around (−)}如说明书中所定义。本发明的碱发生器可用于聚酰亚胺前体的酰亚胺化，促进环氧单体交联，或聚氨酯或聚脲的交联。
• The Synthesis of Some Head to Head Linked DNA Minor Groove Binders
  作者：Abedawn I. Khalaf、Andrew R. Pitt、Martin Scobie、Colin J. Suckling、John Urwin、Roger D. Waigh、Robert V. Fishleigh、Steven C. Young、William A. Wylie

  DOI：10.1016/s0040-4020(00)00432-4

  日期：2000.7

  A series of head to head linked dimers of heterocyclic amino acids has been prepared for investigation of affinity and selectivity in binding to the minor groove of DNA. The selection of targets for synthesis was led by computer based design. Several novel dicarboxylic acid linkers including indoles, phenanthrenes, a fluorenone, and a bisbenzothiophene have been included. Analysis of binding to DNA

  已经制备了一系列首尾相连的杂环氨基酸二聚体，用于研究与DNA小沟结合的亲和力和选择性。合成目标的选择由基于计算机的设计主导。已经包括几种新颖的二羧酸连接基，包括吲哚，菲，芴酮和双苯并噻吩。通过印迹分析与DNA的结合表明对衍生自2,7-二氢菲二羧酸的化合物具有很高的亲和力，并且对包含至少4个AT对的AT富集区域具有主要选择性，但具有跨越两个CG碱基对的能力。
• Stable Axial Chirality in Metal Complexes Bearing 4,4′-Substituted BIPHEPs: Application to Catalytic Asymmetric Carbon–Carbon Bond-Forming Reactions
  作者：Kohsuke Aikawa、Yoshitaka Miyazaki、Koichi Mikami

  DOI：10.1246/bcsj.20110309

  日期：2012.2.15

  Not only electronic but also steric effects of 4,4′-substituents in BIPHEP derivatives and metal (Pd, Pt, and Au) complexes are shown to influence the stability of the biphenyl single bond rotation. While electron-donating or sterically demanding substituents on the 4,4′-positions destabilize the axial chirality of BIPHEP derivatives, electron-withdrawing or sterically less demanding ones on the 4,4′-positions stabilize the axis chirality. Particularly, the axial chirality of palladium dichloride complexes bearing BIPHEP with t-Bu and CF3 substituents on the 4,4′-positions is most labile and stable, respectively (ΔG≠ = 29.22 and 30.49 kcal mol−1 at 300 K; t1/2 = 7 and 56 years at 300 K). These enantiopure dicationic BIPHEP–Pd complexes can be employed for catalytic enantioselective arylation, alkenylation, and ene reactions to give the corresponding products in good-to-excellent yields and enantioselectivities. Significantly, in the carbonyl-ene reaction of trifluoropyruvate with isobutene, the turnover frequency (TOF) reached 58200 h−1. The remarkable effects of 4,4′-substituents in BIPHEP derivatives can be employed as a guiding principle in the design of versatile and efficient ligands.

  不仅是电子效应，4,4′-取代基在BIPHEP衍生物及金属（Pd、Pt和Au）配合物中的空间效应也被证明会影响联苯单键旋转的稳定性。在4,4′-位置的电子供体或空间占位需求较大的取代基会使BIPHEP衍生物的轴向手性不稳定，而电子吸引或空间占位需求较小的取代基则会稳定轴向手性。特别是，带有t-Bu和CF3取代基的钯二氯化物配合物的轴向手性表现出最大的易变性和稳定性（在300 K时，ΔG≠ = 29.22和30.49 kcal mol−1；t1/2 = 7年和56年）。这些对映体纯的二阳离子BIPHEP–Pd配合物可用于催化对映选择性的芳烃化、烯烃化和烯反应，以良好至优异的产率和对映选择性生成相应的产品。重要的是，在三氟丙酮酸与异丁烯的羰基-烯反应中，周转频率（TOF）达到了58200 h−1。4,4′-取代基在BIPHEP衍生物中的显著影响可作为设计多用途高效配体的指导原则。
• Electrochemical synthesis of poly(4,4′-biphenylenevinylene)s (PBPVs)
  作者：Jonas Gruber、Rosamaria Wu Chia Li

  DOI：10.1039/a901426h

  日期：——

  A series of three 2,2′-substituted 4,4′-dimethylbiphenyls have been prepared either by Grignard or Ullmann reactions and their benzylic bromination with NBS gave the corresponding 4,4′-bis(dibromomethyl)biphenyls. The cathodic reduction of these compounds, at a stirred mercury pool cathode led to the desired poly(4,4′-biphenylenevinylene)s, PBPVs, in good yields and in very smooth conditions. The obtained polymers have been spectroscopically characterized. After doping with iodine vapours, they exhibited electrical conductivities of the same magnitude as those observed for parent PPVs. Thermal analysis data (DSC and TG) are also presented and show their thermal stability both in air or nitrogen atmosphere.

  一系列三种2,2'-取代的4,4'-二甲基联苯已通过格里尼亚反应或乌尔曼反应合成，并且它们与NBS的苯基溴化反应生成相应的4,4'-双(二溴甲基)联苯。这些化合物在搅拌的汞池阴极下进行阴极还原，得到了所需的聚(4,4'-联苯乙烯)，PBPVs，产率良好，条件非常顺利。所获得的聚合物已通过光谱学方法进行表征。经过碘蒸气掺杂后，它们表现出与母体PPVs相同数量级的电导率。还提供了热分析数据（DSC和TG），显示它们在空气或氮气气氛中的热稳定性。
• Cross-Linked Peptides and Proteins, Methods of Making Same, and Uses Thereof
  申请人：Lin Qing

  公开号：US20140057857A1

  公开（公告）日：2014-02-27

  Cross-linked proteins and peptides, and methods of making and uses of such cross-linked proteins and peptides. The cross-linked proteins and peptides have rigid, distance-matching bismethylene aryl cross-linking moieties. Compositions comprising the cross-linked proteins and peptides can be used as pharmaceutical delivery formulations. The cross-linked proteins and peptides can have improved properties, such as cell permeability, as compared to the parent protein or peptide.

  跨链蛋白和肽以及制备和使用这种跨链蛋白和肽的方法。跨链蛋白和肽具有刚性、距离匹配的双亚甲基芳基交联基团。包含跨链蛋白和肽的组合物可用作药物递送配方。与母体蛋白或肽相比，跨链蛋白和肽可以具有改善的特性，例如细胞渗透性。