sodium 4,6-dimethyl-2-pyrimidyl selenolate | 1401317-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: sodium 4,6-dimethyl-2-pyrimidyl selenolate
• 英文别名: NaSe(4,6-dimethyl-2-pyrimidyl)；NaSepymMe2；Sodium;4,6-dimethylpyrimidine-2-selenolate；sodium;4,6-dimethylpyrimidine-2-selenolate
• CAS: 1401317-72-3
• 化学式: C₆H₇N₂Se*Na
• 分子量: 209.085
• InChiKey: ZATVJNQHGIUGIP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.11
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium 4,6-dimethyl-2-pyrimidyl selenolate 、 二丁基二氯化锡 反应 3.0h， 以66%的产率得到
  参考文献：
  名称：

  Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe₂ nano-sheets and thin films

  摘要：

  有机锡配合物，[R₂Sn{SeC₄H(Me-4,6)₂N₂}₂]和[R₂SnCl{SeC₄H(Me-4,6)₂N₂}] (R = 烷基)已经制备并用作SnSe₂纳米片和薄膜的制备的单分散分子催化剂。带隙的可调性已被证明。

  DOI：

  10.1039/c5ra20578f
• 作为产物：
  描述：

  bis(4,6-dimethyl-2-pyrimidyl)diselenide 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 sodium 4,6-dimethyl-2-pyrimidyl selenolate
  参考文献：
  名称：

  Diorganotin(iv) 4,6-dimethyl-2-pyrimidyl selenolates: synthesis, structures and their utility as molecular precursors for the preparation of SnSe₂ nano-sheets and thin films

  摘要：

  有机锡配合物，[R₂Sn{SeC₄H(Me-4,6)₂N₂}₂]和[R₂SnCl{SeC₄H(Me-4,6)₂N₂}] (R = 烷基)已经制备并用作SnSe₂纳米片和薄膜的制备的单分散分子催化剂。带隙的可调性已被证明。

  DOI：

  10.1039/c5ra20578f

文献信息

• Copper complexes of arylselenolate-based ligands: synthesis and catalytic activity in azide–alkyne cycloaddition reactions
  作者：Rohit Singh Chauhan、Dhvani Oza、Seema Yadav、Chandrakanta Dash、Alexandra M. Z. Slawin、Neelam Shivran

  DOI：10.1039/c8nj04602f

  日期：——

  the mono nuclear [CuCl(SeC5H4N)(PPh3)2] (1b) on treatment with excess phosphine. All complexes were characterized by elemental analysis, 1H NMR, IR and mass spectroscopy. The molecular structure of [CuCl(SeC5H4N+H)(PPh3)2] (1b′) was investigated by single crystal X-ray diffraction analysis. The copper(II) complexes of arylselenolates efficiently catalyzed azide–alkyne cyclo-addition reactions (click

  [CuCl 2（PPh 3）2 ]与芳基硒酸酯的钠盐反应生成四面体[CuCl（SeAr）（PPh 3）2 ]（（Ar = Ph，1a ; C 5 H 4 N，1b ; C 4 H（ 4,6-Me）2 N 2），1c）。在结晶过程中，后一种配合物1b和1c的吡啶基氮被质子化。但是，与CuCl 2 ·2H 2 O的相似反应导致形成了组成为[Cu（SeAr）2 ]的聚合物络合物。n（Ar = Ph，2a; C 5 H 4 N，2b）。后者的络合物2b在用过量的膦处理时产生单核[CuCl（SeC 5 H 4 N）（PPh 3） 2 ]（1b）。通过元素分析， 1 H NMR，IR和质谱对所有配合物进行表征。通过单晶X射线衍射分析研究了[CuCl（SeC 5 H 4 N + H）（PPh 3） 2 ]（1b'）的分子结构。铜（二））芳基硒酸酯的络合物可在水中高效催化叠氮化物-炔烃环加成反应（点击反应），从而以中等至中等的产率产生1
• Synthesis of photo-responsive indium selenides (InSe and In₂Se₃) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(<scp>iii</scp>) as a molecular precursor
  作者：Gourab Karmakar、Alpa Y. Shah、Adish Tyagi、A. P. Wadawale、G. Kedarnath、N. Naveen Kumar、Jitendra Bahadur

  DOI：10.1039/d1nj06167d

  日期：——

  and moisture stable tris(4,6-dimethyl-2-pyrimidylselenolato)indium(III) complex, as a single source molecular precursor, to synthesize stoichiometric indium selenides (InSe and In2Se3) in the nano-regime with precise control, through proper choice of the reaction solvents. The crystal structure, phase purity and composition of the materials were determined by pXRD and EDS analysis, whereas the electron

  硒化铟（InSe和In 2 Se 3）由于其良好的载流子迁移率和高光响应性而引起了极大的兴趣，在高性能光伏和光电器件中表现出巨大的应用潜力。从相同的分子前体选择性合成 InSe 和 In 2 Se 3材料是一项具有挑战性的任务。在这项研究中，我们制备并表征了一种空气和水分稳定的三（4,6-二甲基-2-嘧啶基硒醇基）铟（III）配合物，作为单一来源的分子前体，用于合成化学计量的硒化铟（InSe 和 In 2 Se 3) in the nano-regime with precise control, through proper choice of the reaction solvents. 通过 pXRD 和 EDS 分析确定了材料的晶体结构、相纯度和组成，而电子显微镜研究表明，反应条件对纳米结构的形态有深远的影响。UV-DRS 分析显示相对于体带隙的蓝移，并落在适合太阳能电池应用的范围
• Reactivity of dipyrimidyldiselenides with [M(PPh3)4] and 2-pyrimidylchalcogenolates with [MCl2(diphosphine)] (M = Pd or Pt)
  作者：Rohit Singh Chauhan、Rakesh K. Sharma、G. Kedarnath、David B. Cordes、Alexandra M.Z. Slawin、Vimal K. Jain

  DOI：10.1016/j.jorganchem.2012.06.036

  日期：2012.10

  Oxidative addition reactions of SeC4H(4,6-R)2N2}2 with [M(PPh3)4] (M = Pt or Pd) in benzene afforded complexes of composition, [PtSeC4H(4,6-R)2N2}2(PPh3)2] (1) and [Pdη2-SeC4H(4,6-R)2N2}SeC4H(4,6-R)2N2}(PPh3)] (3) (R = H or Me). The former when left in solution dissociated to [Ptη2-SeC4H(4,6-R)2N2}SeC4H(4,6-R)2N2}(PPh3)] (2) and PPh3. Treatment of [PtCl2(P∩P)] (P∩P = dppe or dppp) and NaEC4H(4

  SEC 4 H（4,6-R）2 N 2 } 2与[M（PPh 3）4 ]（M = PT或Pd）在苯中的氧化加成反应提供了组成为[PT SEC 4 H（ 4,6-R）2 ñ 2 } 2（PPH 3）2 ]（1）和[钯η 2 -sEC 4 H（4,6-R）2 ñ 2 } 秒4 H（4,6- R）2 N 2 }（PPh 3）]（3）（R = H或Me）。前者在溶液中时离开解离为[PT η 2 -sEC 4 H（4,6-R）2 Ñ 2 } 秒4 H（4,6-R）2 Ñ 2 }（PPH 3）]（2）和PPh 3。的治疗[氯铂酸2（P ∩ P）]（P ∩ P = DPPE或DPPP）和NAEC 4 H（4,6-R）2 Ñ 2（对于E / R =硒/ H / Me或碲/ Me）的给出了单核络合物[PT EC 4 H（4,6-R）2 N 2 } 2（P∩P）]（4和6）（R = H或Me，P
• Cis configured bis phosphine platinum(II) chalcogenolate complexes: Structures, NMR and computational studies
  作者：Rohit Singh Chauhan、G. Kedarnath、A. Wadawale、D.K. Maity、James A. Golen、Arnold L. Rheingold、Vimal K. Jain

  DOI：10.1016/j.jorganchem.2013.03.030

  日期：2013.8

  Reactions of [PtCl2((PP)-P-boolean AND)] ((PP)-P-boolean AND = dppm, dppe or dppp) with Pb(SMes)(2) and sodium arylchalcogenolates yielded mononuclear complexes of the type, cis-[Pt(EAr) 2(PXP)] [EAr = EMes (E = S, Se or Te; Mes = mesityl), Sepym (pym = 2-pyrimidyl) or SepymMe(2) (pymMe(2) = 4,6-dimethyl-2-pyrimidyl]. These complexes were characterized by elemental analyses and NMR (H-1, P-31) spectroscopy. The molecular structures of [Pt(SeMes)(2)(dppp)]center dot 1\2C(6)H(6), [Pt(TeMes)(2)(dppp)]center dot 3C(6)H(6), [Pt(SeC4H3N2)(2)(dppm)] and [PtSeC4H(4,6-Me2) N2} 2(dppm)]center dot CH2Cl2 were established by single crystal X-ray diffraction analyses. An attempt has been made to rationalize the NMR data with the nature of chelated bis phosphine ligand, chalcogen atom and aryl substituent on the chalcogen atom. The energy difference (Delta E), calculated by DFT, is very small between various conformers. The calculated Delta E between various conformers of mesitylthiolate dppp complex lies in the range of 0.1- 1.0 kcal/ mol; the same for mesitylselenolate complex lies in the range of 0.5e2.2 kcal/ mol and for mesityltellurolate complex it is in the range of 1.0 - 3.0 kcal/ mol. (C) 2013 Elsevier B. V. All rights reserved.
• Pyrimidyl-2-selenolates of cadmium and mercury: Synthesis, characterization, structures and their conversion to metal selenide nano-particles
  作者：Rakesh K. Sharma、Amey Wadawale、G. Kedarnath、B. Vishwanadh、Vimal K. Jain

  DOI：10.1016/j.ica.2013.11.018

  日期：2014.2

  Reactions of [MCl2(tmeda)] (M = Cd or Hg; tmeda = N, N, N', N'-tetramethylethylenediamine) with NaSeC4H(R-4,6)(2)N-2 (R = H or Me) gave selenolate complexes of the general formula [MSeC4H(R-4,6) 2N2} 2 (tmeda) n] (M/R/n = Cd/H/1 (1); Cd/Me/1 (2); Hg/H/1 (3) and Hg/Me/0 (4)). The chloro complexes of general formula, [MClSeC4H(Me-4,6)(2)N-2}(tmeda)] (M = Cd (6) or Hg (7)) have been synthesized by redistribution reaction of [MSeC4H(Me-4,6)(2)N-2}(2)] with MCl2 followed by treatment with tmeda. The complexes have been characterized by elemental analysis, UV-Vis and NMR (H-1, C-13, Se-77, Cd-113 and Hg-199) spectroscopy. The molecular structures of [CdSeC4H(Me-4,6)(2)N-2}(2)(tmeda)] and [HgSeC4H(Me-4,6)(2)N-2}(2)] were established by single crystal X-ray diffraction. The complex, [CdSeC4H(Me-4,6)(2)N-2} 2(tmeda)] comprises of an octahedral cadmium atom containing chelating, two SeC4H(4,6-Me) N-2 and one tmeda, ligands. The complex, [HgSeC4H(Me-4,6) 2N2} 2] has a linear structure with monodentate selenolate ligand. Thermolysis of [CdSeC4H(Me-4,6)(2)N-2}(2)(tmeda)] and [HgSeC4H(Me-4,6)(2)N-2}(2)] in various coordinating solvents afforded CdSe and HgSe nanoparticles which were characterized by UV-Vis, XRD, SEM, EDX and TEM. (C) 2013 Elsevier B.V. All rights reserved.