lithium 3-methoxyphenyl-acetylide | 133503-64-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: lithium 3-methoxyphenyl-acetylide
• CAS: 133503-64-7
• 化学式: C₉H₇LiO
• 分子量: 138.095
• InChiKey: CGHDJIJEGMUCTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.25
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  lithium 3-methoxyphenyl-acetylide 在 manganese(IV) oxide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 11.0h， 生成
  参考文献：
  名称：

  联芳基壬酸酯的脱芳香螺环化反应合成二氟甲基化和磷酸化的螺[5.5]三烯酮。

  摘要：

  首次实现了用氟代烷基溴化物或亚磷酸二乙酯对联芳基酮的铜或银催化的级联自由基加成/二代化螺环化。该方法为中等至高收率的多种二氟甲基化或单氟甲基化和磷酸化的螺[5.5]三烯酮的发散合成提供了一种新颖且经济的步骤。

  DOI：

  10.1021/acs.orglett.8b01027

文献信息

• Oxidative Kinetic Resolution of Cyclic Benzylic Ethers
  作者：Shutao Sun、Yingang Ma、Ziqiang Liu、Lei Liu

  DOI：10.1002/anie.202009594

  日期：2021.1.4

  manganese‐catalyzed oxidative kinetic resolution of cyclic benzylic ethers through asymmetric C(sp3)−H oxidation is reported. The practical approach is applicable to a wide range of 1,3‐dihydroisobenzofurans bearing diverse functional groups and substituent patterns at the α position with extremely efficient enantiodiscrimination. The generality of the strategy was further demonstrated by efficient oxidative kinetic

  据报道，锰通过不对称的C（sp 3）-H氧化反应催化了环苄醚的氧化动力学拆分。实际的方法适用于范围广泛的1,3-二氢异苯并呋喃，其在α位置带有多种官能团和取代基，并具有非常有效的对映歧化作用。该策略的普遍性通过另一种五元环状苄基醚，2,3-二氢苯并呋喃和六元6H-苯并[c]苯二酚的有效氧化动力学拆分得到了进一步证明。进一步探索了否则难以获得的生物活性分子的直接后期氧化动力学拆分。
• Synthesis, characterization and luminescence properties of homoleptic platinum(<scp>ii</scp>) acetylide complexes
  作者：José Benito、Jesús R. Berenguer、Juan Forniés、Belén Gil、Julio Gómez、Elena Lalinde

  DOI：10.1039/b308291a

  日期：——

  A family of homoleptic tetraalkynylplatinate(II) complexes (NBu4)2[Pt(CCR)4] containing various arylsubstituted (R = C6H4X), where X is an electron-donating, -withdrawing or -delocalizing substituent, and ethynylpyridine (C5H4N-2, C5H4N-4) ligands have been prepared. The structures of complexes with R = (4-CF3)C6H4 (4·2HCCl3), (4-CN)C6H4 (6·H2O) and C5H4N-4 (9b·HCCC5H4N-4·2H2O) have been determined

  含多个被芳基取代的（R = C 6 H 4 X）的均化四炔基铂（II）配合物（NBu 4）2 [Pt（C CR）4 ] ，其中X是供电子，吸电子或离域取代基，和乙炔基吡啶（C 5 H 4 N-2，C 5 H 4 N-4）配体已经准备好了。R =（4-CF 3）C 6 H 4 （4 ·2HCCl 3），（4-CN）C 6 H 4 （6 ·H 2 O）和C 5 H 4 N-4（9b）的配合物的结构·HC CC 5 H 4 N-4·2H 2 O）通过单晶X射线衍射求出。在4种情况下，通过短的CHmoleculesπ相互作用将两个分子的CHCl 3结合到阴离子中，而对-吡啶基乙炔基衍生物高氧2分子通过适度的N⋯H–O–H⋯N分子间相互作用连接不同的阴离子，从而形成延伸的一维链。已经检查了配合物的光物理和电化学性质。它们都在液态和固态下显示出77和298 K时的发射，寿命在微秒范围内。在某些情况下，
• Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes
  作者：Elena Lalinde、M. Teresa Moreno、Santiago Ruiz、Sergio Sánchez

  DOI：10.1021/om500336v

  日期：2014.6.23

  revealing the presence of intramolecular (H···Pt and H···C≡C) and intermolecular Omethoxy···HHpq contacts in 2 and the formation of butterfly structures in 4 and 5. In the tBu derivative 4, a shorter intramolecular Pt···Pt separation was found [3.0936(3) Å in 4 vs 3.2109(3) Å in 5], which is related to the nature of η2-alkynyl linkages (η2-asymmetrical in 4 vs η2-symmetrical in 5). Anionic 1–3 display bright

  我们目前的合成，表征，和两个系列炔基-铂的光物理特性（II），其含有苯基喹啉（HPQ）或环金属phenylquinolinyl（PQ）的配体络合物。不寻常的单阴离子络合物（NBU 4）[PT（C≡CR）3（HPQ）]（R =托尔1，C 6 H ^ 4 OME-3 2，C 6 H ^ 4 CF 3 -4 3）通过在适中的产率产生了治疗的[PT（PQ）（μ-Cl）的] 2与过量LiC≡CR（1:8）中，接着后续处理与NBU 4在我PrOH中。然而，随着LiC≡C类似的反应吨卜演变与地层的[PT（PQ）（μ- κC α：η 2 -C≡C吨丁基）] 2 4。相关二聚体[PT（PQ）（μ- κC α：η 2 -C≡CR）] 2（R =托尔5，C 6 H ^ 4 OME-3 6，C 6 H ^ 4 CF 3 -4 7）成功制备通过反应条件改性。单晶研究在执行2，4，和5，揭示了存在的分子内（H···的
• Alkynyl bridged cyclometalated Ir₂M₂ clusters: impact of the heterometal in the photo- and electro-luminescence properties
  作者：Julio Fernández-Cestau、Nora Giménez、Elena Lalinde、Patricia Montaño、M. Teresa Moreno、Sergio Sánchez、Michael D. Weber、Rubén D. Costa

  DOI：10.1039/c5dt04027b

  日期：——

  The distinct photo- and electro-luminescence properties of clusters [Ir₂M₂(ppy)₄(μ-CCC₆H₄-OMe₃)₄] (M = Ag, Cu) provide an example of the role of the CCR groups in modulating metallophillic bonding in the T₁ state.

  [Ir₂M₂(ppy)₄(μ-CCC₆H₄-OMe₃)₄]（M = Ag，Cu）的独特光致发光和电致发光特性，提供了CCR基团在调节T₁态中金属间相互作用的作用的一个例子。
• Small Molecule Agonists of the Orphan Nuclear Receptors Steroidogenic Factor-1 (SF-1, NR5A1) and Liver Receptor Homologue-1 (LRH-1, NR5A2)
  作者：Richard J. Whitby、Jozef Stec、Raymond D. Blind、Sally Dixon、Lisa M. Leesnitzer、Lisa A. Orband-Miller、Shawn P. Williams、Timothy M. Willson、Robert Xu、William J. Zuercher、Fang Cai、Holly A. Ingraham

  DOI：10.1021/jm1014296

  日期：2011.4.14

  The crystal structure of LRH-1 ligand binding domain bound to our previously reported agonist 3-(E-oct-4-en-4-y1)-1-phenylamino-2-phenyl-cis-bicyclo[3.3.0]oct-2-ene 5 is described. Two new classes of agonists in which the bridgehead anilino group from our first series was replaced with an alkoxy or 1-ethenyl group were designed, synthesized, and tested for activity in a peptide recruitment assay. Both new classes gave very active compounds, particularly against SF-1. Structure-activity studies led to excellent dual-LRH-1/SF-1 agonists (e.g., RJW100) as well as compounds selective for LRH-1 (RJW101) and SF-1 (RJW102 and RJW103). The series based on 1-ethenyl substitution was acid stable, overcoming a significant drawback of our original bridgehead anilino-substituted series. Initial studies on the regulation of gene expression in human cell lines showed excellent, reproducible activity at endogenous target genes.