<1,3-Dimethyl-2,4(1H,3H)-dioxopyrimidin-5-yl>mercuric acetate | 65904-27-0

• 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: <1,3-Dimethyl-2,4(1H,3H)-dioxopyrimidin-5-yl>mercuric acetate
• 英文别名: (1,3-dimethyl-1,2,3,4-tetrahydro-2,4-dioxopyrimidin-5-yl)mercuric acetate；(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)mercuric acetate；(1,3-dimethyl-2,4-dioxo-1,3-dihydropyrimidin-5-yl)mercuric acetate；[(1,3-dimethyluracilate-C5)Hg(CH3COO)]；5-acetoxymercuri-1,3-dimethyluracil；Hg(1,3-dimethyluracil-5-yl)(O2CCH3)
• CAS: 65904-27-0
• 化学式: C₈H₁₀HgN₂O₄
• 分子量: 398.768
• InChiKey: DYNSXGMRGTWQCU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.88
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  <1,3-Dimethyl-2,4(1H,3H)-dioxopyrimidin-5-yl>mercuric acetate 在 溴 、 potassium bromide 作用下， 反应 0.5h， 以82%的产率得到5-溴-1,3-二甲基尿嘧啶
  参考文献：
  名称：

  Skulski, Lech; Kujawa, Anna; Kujawa, Tadeusz M., Bulletin of the Polish Academy of Sciences: Chemistry, 1987, vol. 35, # 11-12, p. 499 - 505

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-二甲基脲嘧啶 以93%的产率得到
  参考文献：
  名称：

  ARAI I.; DAVES G. D. JR., J. ORG. CHEM., 1978, 43, NO 21, 4110-4112

  摘要：

  DOI：

文献信息

• Synthesis and structure of (1,3-dimethyluracil-5-yl) mercury(II) complexes with aromatic nitrogen donor ligands
  作者：Felix Zamora、Michel Sabat、Bernhard Lippert

  DOI：10.1016/s0020-1693(98)00236-9

  日期：1998.11

  Reactions of (1,3-dimethyluracil-5-yl)mercury(II)acetate with the heterocycles 1,8-naphthyridine (napy) and 2,2′-bipyridyl (bpy) yield compounds of general composition [Hg(1,3-DimeU- C5 )(heterocycle)]. Two examples, [Hg(1,3-DimeU- C5 )(napy)](NO 3 )·H 2 O(1) and [Hg(1,3-DimeU- C5 )(bpy)](ClO 4 )(4) were crystallized and studied by X-ray crystallography and NMR spectroscopy. 1 H and 199 Hg NMR data

  （1,3-二甲基尿嘧啶-5-基）乙酸汞（II）与杂环1,8-萘啶（napy）和2,2'-联吡啶（bpy）的反应生成具有一般组成的化合物[Hg（1,3 -DimeU- C5）（杂环）]。两个例子是[Hg（1,3-DimeU-C5）（napy）]（NO 3）·H 2 O（1）和[Hg（1,3-DimeU-C5）（bpy）]（ClO 4）（ 4）进行结晶，并通过X射线晶体学和NMR光谱进行研究。一方面的1 H和199 Hg NMR数据，另一方面的X射线数据揭示了水中和固态Napy汞配合物配位方式的差异。虽然napy和bpy都在溶液中充当螯合配体，但napy在固态时充当单齿配体。
• The Uracil C(5) Position as a Metal Binding Site:  Solution and X-ray Crystal Structure Studies of Pt^II and Hg^II Compounds
  作者：Markus Höpp、Andrea Erxleben、Ingo Rombeck、Bernhard Lippert

  DOI：10.1021/ic950842c

  日期：1996.1.1

  1,3-Dimethyluracil (1,3-DimeU) reacts with trans-[(CH3NH2)(2)Pt(H2O)(2)](+) to give trans-[(CH3NH2)(2)Pt(1,3-DimeU-C-5)(H2O)]X (X = NO3-, 1a, ClO4-, 1b) and subsequently with NaCl to give trans-(CH3NH2)(2)Pt(1,3-DimeU-C5)Cl (2) or with NH3 to yield trans-[(CH3NH2)(2)Pt(1,3-DimeU-C5)(NH3)]Cl (3). In a similar way, (dien)Pt-II forms [dienPt(1,3-DimeU-C5)](+) (4). Reactions leading to formation of 1 and 4 are slow, taking days. In contrast, Hg(CH3COO)(2) reacts fast with 1,3-DimeU to give (1,3-DimeU-C5)Hg(CH3COO) (5). Both 1-methyluracil(1-lMeUH) and uridine (urdH) react with (dien)Pt-II initially at N(3) and subsequently with either (dien)Pt-II or Hg(CH3COO)(2) also at C(5) to give the diplatinated species 7 and 9 or the mixed PtHg complex 8. C(5) binding of either Pt-II or Hg-II is evident from coupling of uracil-H(6) with either Pt-195 or Hg-199 nuclei and (3)J values of 47-74 Hz (for Pt compounds) and 185-197 Hz (for Hg compounds). J values of Pt compounds are influenced both by the ligands trans to the uracil C(5) position and by the number of metal entities bound to a uracil ring. Both 2 and 5 were X-ray structurally characterized. 2: monoclinic system, space group P2(1)/c, a (6) Angstrom, c = 25.655 (10) Angstrom, beta = 145.55(3)degrees, V = 2621.9(28) Angstrom(3), Z = 4. 5: monoclinic system, space group P2(1)/c, a = 4.905(2) Angstrom, b = 18.451(6) Angstrom, c = 11.801(5) Angstrom, beta = 94.47(3)degrees, V = 1064.77(72) Angstrom(3), Z = 4.
• Regiospecific reaction of enol ethers with an organopalladium salt. Stereochemical and conformational effects on product formation
  作者：Isamu Arai、G. Doyle Daves

  DOI：10.1021/ja00469a051

  日期：1978.1
• Palladium-mediated coupling of a 3-deoxy pyranoid glycal: stereochemistry of C-glycosyl bond formation
  作者：Daw Long Kwok、Roger N. Farr、G. Doyle Daves

  DOI：10.1021/jo00011a049

  日期：1991.5
• Three isomeric 1,3-dimethyl-5-(dihydropyran-2-yl)-2,4-pyrimidinediones. Palladium-catalyzed synthesis and spectrometric properties
  作者：Isamu Arai、G. Doyle Daves

  DOI：10.1021/jo00415a026

  日期：1978.10