(S)-2-[(4-amino-3-methyl-5-nitroso-6-oxo-1,6-dihydro)pyrimidin-2-yl]aminopropanoate, potassium salt | 228113-19-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-[(4-amino-3-methyl-5-nitroso-6-oxo-1,6-dihydro)pyrimidin-2-yl]aminopropanoate, potassium salt
• 英文别名: N-2-(4-amino-1-methyl-5-nitroso-1,6-dihydropyrimidinyl) potassium L-alaninate；potassium;(2S)-2-[(4-amino-1-methyl-5-nitroso-6-oxopyrimidin-2-yl)amino]propanoate
• CAS: 228113-19-7
• 化学式: C₈H₁₀N₅O₄*K
• 分子量: 279.297
• InChiKey: XYEVYFGGMPCSTC-DFWYDOINSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.69
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  sodium tetrachloropalladate(II) 、 (S)-2-[(4-amino-3-methyl-5-nitroso-6-oxo-1,6-dihydro)pyrimidin-2-yl]aminopropanoate, potassium salt 以 水 为溶剂， 生成
  参考文献：
  名称：

  Coordination modes of N-2-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidinyl) potassium L-alaninate toward Ag(I), Cd(II) and Pd(II). Crystal structure of {Ag((η4-μ3-L)]·3H2O}n, first example of a silver 3D-polymer with a pyrimidine-derivative ligand

  摘要：

  The acid-base behaviour of the N-2-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidinyl)potassium L-alaninate (KL) and its reactivity with Ag(I), Cd(II) and Pd(II) metal ions have been studied. Three solid species with formulae AgL . 3H(2)O, CdL2. 6H(2)O and PdCIL . H2O have been obtained and characterized by IR, H-1 and C-13 NMR spectroscopic methods and thermal, conductivity and magnetic measurements. The structure of {Ag((eta(4)-mu(3)-L)]. 3H(2)O}(n) has been established by single-crystal X-ray diffraction and consists in a 3D-polymer, Within the polymer each Ag(I) ion is tetrahedrally coordinated to three differents L anions, while each ligand is coordinated in a rather unusual eta(4)-mu(3), coordination mode. Spectroscopic data show a similar coordination mode for the Cd(II) complex, while for the Pd(II) one a different coordination mode is proposed. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00359-3
• 作为产物：
  描述：

  L-丙氨酸 、 6-amino-3,4-dihydro-3-methyl-2-methoxy-5-nitroso-4-oxopyrimidine 在 氢氧化钾 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以71%的产率得到(S)-2-[(4-amino-3-methyl-5-nitroso-6-oxo-1,6-dihydro)pyrimidin-2-yl]aminopropanoate, potassium salt
  参考文献：
  名称：

  嘧啶衍生物中甲氧基的氨解。通过5-亚硝基激活

  摘要：

  通过在嘧啶环上引入5-亚硝基将强烈激活嘧啶衍生物中2-甲氧基的亲核取代。几种2-甲氧基-5-亚硝基嘧啶衍生物的氨解反应可在室温下在羟基以及具有不同伯胺的非羟基介质中进行，且时间短且收率高。氨基裂解的底物包括6-[[（- O-乙酰基）糖基]氨基嘧啶，其提供相应的2-氨基嘧啶而不损害糖部分的乙酰基保护基。

  DOI：

  10.1002/jhet.5570390114

文献信息

• Aminolysis of methoxy groups in pyrimidine derivatives. Activation by 5-nitroso
  作者：Group M. Melguizo、A. Marchal、M. Nogueras、A. Sánchez、J. N. Low

  DOI：10.1002/jhet.5570390114

  日期：2002.1

  The nucleophilic substitution of 2-mefhoxy groups in pyrimidine derivatives was strongly activated by introduction of a 5-nitroso group on to the pyrimidine ring. The aminolysis of several 2-methoxy-5-nitrosopyrimidine derivatives was performed at room temperature in hydroxylic as well as in non-hydroxylic media with different primary amines in short time and good yields. The aminolysed substrates

  通过在嘧啶环上引入5-亚硝基将强烈激活嘧啶衍生物中2-甲氧基的亲核取代。几种2-甲氧基-5-亚硝基嘧啶衍生物的氨解反应可在室温下在羟基以及具有不同伯胺的非羟基介质中进行，且时间短且收率高。氨基裂解的底物包括6-[[（- O-乙酰基）糖基]氨基嘧啶，其提供相应的2-氨基嘧啶而不损害糖部分的乙酰基保护基。
• Coordination modes of N-2-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidinyl) potassium L-alaninate toward Ag(I), Cd(II) and Pd(II). Crystal structure of {Ag((η4-μ3-L)]·3H2O}n, first example of a silver 3D-polymer with a pyrimidine-derivative ligand
  作者：P. Arranz-Mascarós、M.L. Godino-Salido、R. López-Garzón、M.D. Gutiérrez-Valero、J.M. Moreno

  DOI：10.1016/s0277-5387(98)00359-3

  日期：1999.1

  The acid-base behaviour of the N-2-(4-amino-1-methyl-5-nitroso-6-oxo-1,6-dihydropyrimidinyl)potassium L-alaninate (KL) and its reactivity with Ag(I), Cd(II) and Pd(II) metal ions have been studied. Three solid species with formulae AgL . 3H(2)O, CdL2. 6H(2)O and PdCIL . H2O have been obtained and characterized by IR, H-1 and C-13 NMR spectroscopic methods and thermal, conductivity and magnetic measurements. The structure of Ag((eta(4)-mu(3)-L)]. 3H(2)O}(n) has been established by single-crystal X-ray diffraction and consists in a 3D-polymer, Within the polymer each Ag(I) ion is tetrahedrally coordinated to three differents L anions, while each ligand is coordinated in a rather unusual eta(4)-mu(3), coordination mode. Spectroscopic data show a similar coordination mode for the Cd(II) complex, while for the Pd(II) one a different coordination mode is proposed. (C) 1999 Elsevier Science Ltd. All rights reserved.