2-methyl-4H-pyrazino[2.3-d][1,3]oxazin-4-one | 37706-71-1

• 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: 2-methyl-4H-pyrazino[2.3-d][1,3]oxazin-4-one
• 英文别名: 2-methylpyrazine<2,3-d><1,3>oxazine-4-one；2-Methylpyrazin<2,3-d>-1,3-oxazin-4-on；2-methyl-pyrazino[2,3-d][1,3]oxazin-4-one；2-Methylpyrazino[2,3-d][1,3]oxazin-4-one
• CAS: 37706-71-1
• 化学式: C₇H₅N₃O₂
• 分子量: 163.136
• InChiKey: ZCKGTAVIBZUOHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-methyl-4H-pyrazino[2.3-d][1,3]oxazin-4-one 以 乙醚 为溶剂， 反应 45.0h， 生成 N-[3-(N'-Isopropylidene-N-methyl-hydrazinocarbonyl)-pyrazin-2-yl]-acetamide
  参考文献：
  名称：

  脱水-3-巯基-5-吡嗪基-1,2,4-三唑鎓氢氧化物的合成

  摘要：

  描述了一些新颖的脱水-3-巯基-5-吡嗪基-1,2,4-三唑鎓氢氧化物5的合成。将适当的1-甲基酰肼3与异硫氰酸酯缩合，得到硫代氨基脲4，将其在温和的碱性条件下环化为5。为了比较，合成了一些1,2,4-三唑-3-硫酮8，从2-甲基酰肼6开始，然后进行类似的合成转化。

  DOI：

  10.1002/jhet.5570180533
• 作为产物：
  描述：

  3-氨基吡嗪-2-羧酸 、 乙酸酐 反应 3.0h， 生成 2-methyl-4H-pyrazino[2.3-d][1,3]oxazin-4-one
  参考文献：
  名称：

  Structural characterisation of 2,3-disubstituted pyrazines: NMR and X-ray crystallography

  摘要：

  2-Formyl-3-aminopyrazine (1), 2-acetyl-3-aminopyrazine (2) and 2-benzoyl-3-aminopyrazine (3) have been studied by multinuclear magnetic resonance spectroscopy in solution and in solid state. Amino-imine tautomerism in such derivatives has been discussed on the basis of the calculated stabilities of the different tautomers by the hybrid B3LYP/6-31G** method. The crystalline structure of compound 3 has been solved, it belongs to the monoclinic P2(1)/n space group, and shows supramolecular architectures involving N-H...O and N-H...N-pyrazine intermolecular hydrogen bonds. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.061

文献信息

• Heterocyclic Compound
  申请人：Amasaki Ichiro

  公开号：US20100004439A1

  公开（公告）日：2010-01-07

  A compound represented by the following Formula (1): wherein, Het 1 represents a bivalent five- or six-membered aromatic heterocyclic residue and may further be substituted; X a to X d each independently represent a heteroatom and may further be substituted; Y a to Y f each independently represent a heteroatom or a carbon atom and may further be substituted; the ring bound to Het 1 may have a double bond at any position

  以下是您提供的化学公式(1)的中文翻译： 其中，Het1代表一个二价的五元或六元芳香杂环基团，且可以进一步被取代；Xa至Xd每个独立地代表一个杂原子，且可以进一步被取代；Ya至Yf每个独立地代表一个杂原子或一个碳原子，且可以进一步被取代；与Het1相连的环可以在任何位置有一个双键。
• RESIN MOLDED PRODUCT AND POLYMER FILM
  申请人：FUJIFILM Corporation

  公开号：EP2270076A1

  公开（公告）日：2011-01-05

  A formed resin article, containing a compound and a polymer substance, wherein the compound has a maximum absorption wavelength in a range of 400 nm or less, measured in a solution of the compound, wherein the compound is contained in the polymer substance in a quantity of 5 g/m2 or less, and wherein a light transmittance of the article at a wavelength of 410 nm is 5% or less.

  一种成型树脂制品，含有一种化合物和一种高分子物质，其中化合物在其溶液中的最大吸收波长为 400 纳米或以下、 其中化合物在聚合物物质中的含量为 5 克/平方米或更少，以及 在波长为 410 纳米时，物品的透光率为 5%或更低。
• ULTRAVIOLET ABSORBENT COMPOSITIONS
  申请人：FUJIFILM Corporation

  公开号：EP2270113A1

  公开（公告）日：2011-01-05

  An ultraviolet absorbent composition, comprising: at least one kind of ultraviolet absorbent (A) that is a compound represented by the following Formula (1); and at least one kind of ultraviolet absorbent (B) that is a compound where absorbance at 320 nm is 20% or more of absorbance at absorption maximum wavelength in the range of from 270 nm to 400 nm and the absorption maximum wavelength is 380 nm or less: wherein Het1 represents a bivalent five- or six-membered aromatic heterocyclic residue; the aromatic heterocyclic residue may have a substituent; Xa, Xb, Xc and Xd each independently represent a heteroatom; Xa to Xd may have a substituent; Ya, Yb, Yc, Yd, Ye and Yf each independently represent a heteroatom or a carbon atom; Ya to Yf may have a substituent; and the rings bound to Het1 may have a double bond at any position.

  一种紫外线吸收剂组合物，包括 至少一种紫外线吸收剂（A），它是由下式（1）表示的化合物；以及 至少一种紫外线吸收剂 (B)，该化合物在 320 纳米波长处的吸光度为 270 纳米至 400 纳米波长范围内吸收最大波长处吸光度的 20% 或以上，且吸收最大波长为 380 纳米或以下： 其中 Het1 代表二价五元或六元芳香杂环残基；芳香杂环残基可具有取代基； Xa、Xb、Xc 和 Xd 各自独立地代表一个杂原子；Xa 至 Xd 可具有一个取代基； Ya、Yb、Yc、Yd、Ye 和 Yf 各自独立地代表一个杂原子或一个碳原子；Ya 至 Yf 可具有一个取代基；以及 与 Het1 结合的环可以在任何位置具有双键。
• SHUTSKE, G. M., J. HETEROCYCL. CHEM., 1981, 18, N 5, 1017-1023
  作者：SHUTSKE, G. M.

  DOI：——

  日期：——
• Ultraviolet Absorbent and Heterocyclic Compound
  申请人：Amasaki Ichiro

  公开号：US20090239982A1

  公开（公告）日：2009-09-24

  An ultraviolet absorbent represented by the following Formula (1) or (6): wherein, Het 1 represents a monovalent five- or six-membered aromatic heterocyclic residue; X a and X b each independently represent a heteroatom; Y a to Y c each independently represent a heteroatom or a carbon atom; the ring formed from carbon atom, X a , X b , Y a to Y c may have a double bond at any position and has at least one fused ring; wherein, Het 6 represents a monovalent five- or six-membered aromatic heterocyclic residue; X 6a and X 6b each independently represent a heteroatom; Y 6a , Y 6b and Y 6c each independently represent a heteroatom or a carbon atom; L 6 represents a bi- to octa-valent connecting group; n is an integer of 2 or more, and m is an integer of 0 or more.