1,4-di(2-pyridyl)butan-1,4-dione | 37709-53-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,4-di(2-pyridyl)butan-1,4-dione
• 英文别名: 1,4-Di(pyridin-2-yl)butane-1,4-dione；1,4-dipyridin-2-ylbutane-1,4-dione
• CAS: 37709-53-8
• 化学式: C₁₄H₁₂N₂O₂
• 分子量: 240.261
• InChiKey: OVBYRKDBCFPQOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  59.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-di(2-pyridyl)butan-1,4-dione 在 乙酸铵 作用下， 反应 2.0h， 以90%的产率得到2,5-(2-吡啶基)吡咯
  参考文献：
  名称：

  扩展的杂环系统1.吡咯基吡啶，交替的吡咯：吡啶低聚物和聚合物的合成与表征，以及相关系统

  摘要：

  Stetter程序已经过调整，可以生产低聚和聚合的吡咯基吡啶，这些化合物已通过13 C NMR光谱进行了表征。2-（吡咯-2-基）吡啶对季铵化的较低活性允许2-，3-和4-（吡咯-2-基）吡啶的选择性N-烷基化。

  DOI：

  10.1016/0040-4020(96)00448-6
• 作为产物：
  描述：

  吡啶-2-甲醛 生成 1,4-di(2-pyridyl)butan-1,4-dione
  参考文献：
  名称：

  MARTIN R. A.; NEWKOME GEORGE R., J. HETEROCYLCL. CHEM., , 1974, 11, NO 5, 831-832

  摘要：

  DOI：

文献信息

• GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20140243349A1

  公开（公告）日：2014-08-28

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本公开提供了激活Wnt/β-连环蛋白信号通路并因此治疗或预防与信号转导相关的疾病的γ-二酮或其类似物；这些疾病包括骨质疏松症和骨关节病；骨发育不全、骨缺陷、骨折、牙周病、耳硬化症、伤口愈合、颅颌面缺陷、溶骨性骨病、创伤性脑损伤或脊柱损伤、与中枢神经系统分化和发育相关的脑萎缩/神经系统疾病，包括帕金森病、中风、缺血性脑疾病、癫痫、阿尔茨海默病、抑郁症、躁郁症、精神分裂症；耳部疾病如耳蜗毛细胞丧失；眼部疾病如老年性黄斑变性、糖尿病性黄斑水肿或视网膜色素变性以及与干细胞分化和生长相关的疾病，如脱发、造血相关疾病和组织再生相关疾病。
• Zinc Complexes with Tridentate Pyridyl‐Pyrrole Ligands and their Use as Catalysts in CO ₂ Fixation into Cyclic Carbonates
  作者：Jing‐Jing Chen、Yao‐Chun Xu、Zhi‐Liang Gan、Xiao Peng、Xiao‐Yi Yi

  DOI：10.1002/ejic.201801246

  日期：2019.4.9

  are interesting due to their rich coordination chemistry and their use in molecular devices, biological therapeutics, and catalytic transformations. Cs‐symmetric HL3 ligand Br‐substituted on one of the pyridyl rings was designed and synthesized by Paal–Knorr pyrrole condensation. Ligand HL4 was synthesized by Suzuki‐coupling reaction between HL3 and 2‐thiopheneboronic acid in the presence of K2CO3 and

  吡啶基吡咯配体通常模仿聚吡啶配体，它们的金属配合物非常有趣，这是因为它们具有丰富的配位化学以及在分子装置，生物治疗和催化转化中的用途。Ç小号-对称ħ大号3配体的吡啶基环中的一个溴取代的设计并通过帕尔-克诺尔吡咯缩合合成。配体H L 4是在脱气的THF / H 2 O溶液中，在K 2 CO 3和Pd（PPh 3）4存在下，通过H L 3和2-噻吩硼酸之间的Suzuki偶联反应合成的。锌络合物1 - 5用H大号1至H大号5是通过用在二乙基锌的甲苯相应的吡啶基吡咯配体的在0℃下以高产率制备。X射线衍射分析表征了配体H L 3和所有锌配合物。游离HL 3的结构是平面的。在Zn的几何形状1，2，和5被压缩八面体，而在3和4，他们也许最好地描述为之间是顺-divacant八面体和扭曲的四面体。在这些锌络合物中，较短的Zn–N吡咯[1.878（5）-1.950（4）Å]和更长的Zn-N吡啶[2.108（5）-2
• Mono- and Dinuclear Binding Modes of the 2,5-Bis(α-pyridyl)pyrrolate Ligand in Platinum(II) Complexes
  作者：Drew C. Newman、Michael R. Gau、Patrick J. Carroll、Karen I. Goldberg

  DOI：10.1021/acs.organomet.1c00152

  日期：2021.6.28

  A series of platinum(II) complexes with the 2,5-bis(α-pyridyl)pyrrolate (PDP) ligand were synthesized. The ligand (X) trans to the central pyrrole nitrogen of PDP was found to play a key role in whether tridentate monomeric or bidentate clamshell dimer complexes were formed. When X = CH3 or C6H5, strong σ-donor ligands, only dimeric clamshell structures were observed. In contrast, when X = Cl or I

  合成了一系列具有 2,5-双(α-吡啶基)吡咯酸酯 (PDP) 配体的铂 (II) 配合物。发现与 PDP 的中心吡咯氮反式的配体 (X) 在三齿单体或双齿蛤壳二聚体复合物的形成中起关键作用。当 X = CH 3或 C 6 H 5 时，强σ-供体配体，仅观察到二聚蛤壳结构。相反，当 X = Cl 或 I，具有 π 供体特性的配体时，可以制备二聚体和单体复合物。配体框架支持与 π 供体 X 型配体形成单体复合物的能力归因于 PDP 配体在单体构象中充当有效 π 酸的能力。
• Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces
  作者：Jacob W. Ciszek、Zachary K. Keane、Long Cheng、Michael P. Stewart、Lam H. Yu、Douglas Natelson、James M. Tour

  DOI：10.1021/ja055459d

  日期：2006.3.1

  coordination complexes designed to assemble on gold surfaces was synthesized, their electronic structure and transitions analyzed, and their magnetic properties studied. By taking advantage of recently developed thiocyanate assembly protocols, these molecules were then assembled onto a gold surface, without the need for an inert atmosphere, to give a loosely packed monolayer. The assembled molecules exhibit properties

  合成了一系列设计用于在金表面组装的过渡金属配位配合物，分析了它们的电子结构和跃迁，并研究了它们的磁性。通过利用最近开发的硫氰酸盐组装协议，这些分子被组装到金表面上，不需要惰性气氛，得到松散堆积的单层。组装的分子表现出与本体分子相似的特性，表明除化学吸附外分子结构几乎没有变化。
• Extended heterocyclic systems 2. The synthesis and characterisation of (2-furyl)pyridines, (2-thienyl)pyridines, and furan-pyridine and thiophene-pyridine oligomers
  作者：R.Alan Jones、Pervin U. Civcir

  DOI：10.1016/s0040-4020(97)00745-x

  日期：1997.8

  The Stetter procedure has been adapted to produce simple 2-furyl- and 2-thienylpyridines and their related oligomers, which have been characterised by 13C NMR spectroscopy. σ values for the 2-furyl and 2-thienyl rings have been deduced from the pKa values of the conjugate acids of the 2-furyl- and 2-thienylpyridines.

  Stetter程序已经过调整，可以生产简单的2-呋喃基和2-噻吩基吡啶及其相关的低聚物，这些寡聚物已通过13 C NMR光谱进行了表征。由2-呋喃基和2-噻吩基吡啶的共轭酸的pK a值推导出2-呋喃基和2-噻吩基环的σ值。