NaSe(2-pyrimidyl) | 1401317-65-4

• 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: NaSe(2-pyrimidyl)
• 英文别名: NaSe(2-pym)；Sodium;pyrimidine-2-selenolate；sodium;pyrimidine-2-selenolate
• CAS: 1401317-65-4
• 化学式: C₄H₃N₂Se*Na
• 分子量: 181.031
• InChiKey: UORCLKSWYPIQJL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.73
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  dichloro(bis(diphenylphosphino)methane)platinum(II) 、 NaSe(2-pyrimidyl) 以 甲醇 、 苯 为溶剂， 反应 4.0h， 以67%的产率得到[Pt(Se(2-pyrimidyl))2(bis(diphenylphosphino)methane)]
  参考文献：
  名称：

  Cis configured bis phosphine platinum(II) chalcogenolate complexes: Structures, NMR and computational studies

  摘要：

  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 [Pt{SeC4H(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.

  DOI：

  10.1016/j.jorganchem.2013.03.030
• 作为产物：
  描述：

  bis[2-(1,3-diazine)] diselenide 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 NaSe(2-pyrimidyl)
  参考文献：
  名称：

  Pyrimidyl-2-selenolates of cadmium and mercury: Synthesis, characterization, structures and their conversion to metal selenide nano-particles

  摘要：

  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 [M{SeC4H(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, [MCl{SeC4H(Me-4,6)(2)N-2}(tmeda)] (M = Cd (6) or Hg (7)) have been synthesized by redistribution reaction of [M{SeC4H(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 [Cd{SeC4H(Me-4,6)(2)N-2}(2)(tmeda)] and [Hg{SeC4H(Me-4,6)(2)N-2}(2)] were established by single crystal X-ray diffraction. The complex, [Cd{SeC4H(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, [Hg{SeC4H(Me-4,6) 2N2} 2] has a linear structure with monodentate selenolate ligand. Thermolysis of [Cd{SeC4H(Me-4,6)(2)N-2}(2)(tmeda)] and [Hg{SeC4H(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.

  DOI：

  10.1016/j.ica.2013.11.018

文献信息

• 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.