(4-amino-2-methyl-5-pyrimidylmethyl)thioacetic acid | 83329-13-9

• 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: (4-amino-2-methyl-5-pyrimidylmethyl)thioacetic acid
• 英文别名: (4-amino-2-methyl-pyrimidin-5-ylmethylsulfanyl)-acetic acid；(4-Amino-2-methyl-pyrimidin-5-ylmethylmercapto)-essigsaeure；{[(4-Amino-2-methylpyrimidin-5-yl)methyl]sulfanyl}acetic acid；2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]acetic acid
• CAS: 83329-13-9
• 化学式: C₈H₁₁N₃O₂S
• 分子量: 213.26
• InChiKey: YABXVJPOKWEDNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-amino-2-methyl-5-pyrimidylmethyl)thioacetic acid 在 盐酸 、 水 作用下， 生成 (2-methyl-6-oxo-1,6-dihydro-pyrimidin-5-ylmethylsulfanyl)-acetic acid
  参考文献：
  名称：

  Studies on Some Oxidation and Reduction Products of Thiamine. II.¹ Thiamine Disulfide-Thioglycolic Acid Reaction.^2-4

  摘要：

  DOI：

  10.1021/jo01086a003
• 作为产物：
  描述：

  4-氨基-5-溴甲基-2-甲基嘧啶 、 巯基乙酸 在 乙醇 、 水 作用下， 生成 (4-amino-2-methyl-5-pyrimidylmethyl)thioacetic acid
  参考文献：
  名称：

  Studies on Some Oxidation and Reduction Products of Thiamine. II.¹ Thiamine Disulfide-Thioglycolic Acid Reaction.^2-4

  摘要：

  DOI：

  10.1021/jo01086a003

文献信息

• Synthesis, Magnetic and Spectral Properties of Some Metal(II) Complexes of Mercaptoacetic and 3-Mercaptopropionic Acid Derivatives of Vitamin B₁
  作者：Gabriel A. Kolawole

  DOI：10.1080/00945719608005126

  日期：1996.9

  (4'-Amino-2'-methyl-5'-pyrimidinylmethylthio) acetic acid, Hammpta, and the propionic acid analogue, Hammptp, and their copper(II), cobalt(II), zinc(II), palladium(II) and platinum(II) complexes have been synthesized. The pKa values of the acids (at 25 degrees C) are 2.76 (Hammpta) and 2.74 (Hammptp). The complexes were characterized by microanalyses, IR and electronic spectra, conductivity and magnetic susceptibility measurements. While the zinc(II), palladium(II) and platinum(II) complexes exhibit tetrahedral and square-planar geometries, the copper(II) and cobalt(II) complexes exhibit a variety of geometries. One of the copper(II) complexes, [Cu(ammptp)ClH2O], and one of the cobalt(II) complexes, [Co(ammptp)Cl](2), are magnetically concentrated. [Co(Hammpta)(2)Cl-2] is presumed to be low-spin octahedral or square-planar (mu(e) = 2.18 B.M.), whereas the cobalt(II) complexes of Hammptp/ammptp(-) are more prone to being tetrahedral.

  (4'-氨基-2'-甲基-5'-嘧啶基甲基硫基)乙酸、Hammpta，以及丙酸类似物Hammptp，及其铜(II)、钴(II)、锌(II)、钯(II)和铂(II)的配合物已被合成。这些酸的pKa值（25℃）为2.76（Hammpta）和2.74（Hammptp）。这些配合物通过微分析、红外光谱、电子光谱、电导率和磁性测量进行了表征。虽然锌(II)、钯(II)和铂(II)的配合物显示出四面体和平面四边形几何结构，但铜(II)和钴(II)的配合物则表现出多种几何结构。其中一种铜(II)配合物，[Cu(ammptp)ClH2O]，以及一种钴(II)配合物，[Co(ammptp)Cl]₂，则具有磁浓度。假设[Co(Hammpta)₂Cl₂]为低自旋八面体或平面四边形（μ_e = 2.18 B.M.），而Hammptp/ammptp⁻的钴(II)配合物更倾向于四面体结构。
• Synthesis and characterization of potential anticancer platinum(II) and palladium(II) complexes. Infrared, nuclear magnetic resonance studies, structure and binding site determination
  作者：Adegboye Adeyemo、Ann Turner、Abdullah Shamim

  DOI：10.1016/s0020-1693(00)85041-0

  日期：1982.1

  Platinum (II) is bound to two ligands through sulphur and oxygen donor atoms to form square planar complexes which in H2O/D2O mixture (3:2) is a mixture of cis and trans isomers as evident from NMR studies. Palladium(II), on the other hand, seems to bind weakly to the sulfur donor atom. In both Pd(II) and Pt(II) complexes, the amino group seems to be in the form N+--C-l and N+H--O-H at low and high, pH, respectively

  摘要Pd（II）和Pt（II）与（4-氨基-2-甲基-5-嘧啶基-甲硫基）乙酸（AMMPTA）在水介质（pH = 3.5和pH = 11.9）中的相互作用导致形成通过元素分析，IR，1H和13C NMR光谱技术表征的新型复合物。铂（II）通过硫和氧供体原子与两个配体结合，形成方形平面络合物，在H2O / D2O混合物（3：2）中，这是顺式和反式异构体的混合物，从NMR研究中可以看出。另一方面，钯（II）似乎与硫供体原子的结合较弱。在Pd（II）和Pt（II）配合物中，氨基在低pH和高pH下似乎分别以N + -Cl和N + H-OH的形式存在。给出了配体和配合物的1H和13C NMR光谱共振的完整分配。
• Compositions for use in golf balls
  申请人：Bulpett A. David

  公开号：US20050245652A1

  公开（公告）日：2005-11-03

  A golf ball comprises a core, an outer cover layer, and, optionally, an intermediate layer disposed between the core and the outer cover layer. The outer cover layer may comprise a polyurethane or polyurea composition. At least one portion of the golf ball comprises a composition that enhances physical properties and/or performance characteristics (e.g., coefficient of restitution) of the golf ball. Preferably, the coefficient of restitution of the core is 0.8 or greater.

  高尔夫球由内核、外覆盖层和可选的中间层组成，外覆盖层可以包括聚氨酯或聚脲组成。高尔夫球的至少一部分包含一种增强物理特性和/或性能特征（例如反弹系数）的组合物。最好，内核的反弹系数为0.8或更高。
• COMPOSITIONS FOR USE IN GOLF BALLS
  申请人：Sullivan Michael J.

  公开号：US20080227567A1

  公开（公告）日：2008-09-18

  A golf ball comprises a core, an outer cover layer, and, optionally, an intermediate layer disposed between the core and the outer cover layer. The outer cover layer may comprise a polyurethane or polyurea composition. At least one portion of the golf ball comprises a composition that enhances physical properties and/or performance characteristics (e.g., coefficient of restitution) of the golf ball. Preferably, the coefficient of restitution of the core is 0.8 or greater.

  一个高尔夫球包括一个核心、一个外覆盖层，以及可选的介质层，介质层位于核心和外覆盖层之间。外覆盖层可能包括聚氨酯或聚脲组成。高尔夫球的至少一部分包含一种增强高尔夫球物理性能和/或性能特征（例如反弹系数）的组成。最好，核心的反弹系数为0.8或更高。
• Compositions for Use in Golf Balls
  申请人：Bulpett David A.

  公开号：US20080176678A1

  公开（公告）日：2008-07-24

  A golf ball comprising a core and at least one layer disposed about the core, wherein at least one of the core or the layer is formed from a composition comprising a base polymer, a crosslink initiator, and an additive comprising an aromatic iodonium compound or an aromatic iodonium salt.

  一颗高尔夫球包括一个核心和至少一层沿核心排列的材料，其中核心或层中的至少一个是由包含基础聚合物、交联引发剂和添加剂的组合物形成的，该添加剂包括芳香碘化物或芳香碘化盐。