1-(5-甲基吡嗪基)-乙酮 | 22047-27-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-甲基吡嗪基)-乙酮
• 中文别名: 1-(5-甲基吡嗪-2-基)-乙酮
• 英文名称: 1-(5-methylpyrazin-2-yl)ethanone
• 英文别名: 2-Methyl-5-acetylpyrazin；5-methyl-2-acetylpyrazine；methyl 2-(5-methylpyrazinyl) ketone；5-acetyl-2-methylpyrazine；2-Acetyl-5-methylpyrazin；2-Acetyl-5-methylpyrazine
• CAS: 22047-27-4
• 化学式: C₇H₈N₂O
• 分子量: 136.153
• InChiKey: LPQFLJXNMCVMCO-UHFFFAOYSA-N

物化性质

• 熔点：
  55-56 °C
• 沸点：
  80 °C(Press: 8 Torr)
• 密度：
  1.100±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  0.447 (est)
• 保留指数：
  1088;1088;1080;1080;1093;1093;1093;1099.5

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(5-甲基吡嗪基)-乙酮 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 potassium carbonate 、 potassium iodide 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 1-((5-acetylpyrazin-2-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)dione
  参考文献：
  名称：

  羟基嘌呤类化合物及其应用

  摘要：

  本发明公开了一系列羟基嘌呤类化合物及其作为PDE2或TNFa抑制剂的应用，具体公开了式(Ⅰ)所示化合物、其互变异构体或其药学上可接受的盐。

  公开号：

  CN105566324B
• 作为产物：
  描述：

  2-isopentyl-5-(3,3-dimethyl-1-oxobutyl)pyrazine 以 叔丁醇 、 苯 为溶剂， 生成 1-(5-甲基吡嗪基)-乙酮
  参考文献：
  名称：

  Multiple n* Triplet Reactions in the Photochemistry of Alkyl-Substituted Acylpyrazines, Ketones with Four Low-Lying Zero-Order Triplets

  摘要：

  Irradiation of 7a-c and 11a-c leads to triplet-state abstraction of hydrogen by both nitrogen and oxygen with formation of the products shown in Schemes 1 and 2. Stern-Volmer quenching studies yield indistinguishable k(q) tau's far abstraction by carbonyl oxygen and adjacent nitrogen in 11a, and also for intermolecular comparisons both of abstraction by nitrogen in 11b and 11c, and also of abstraction by oxygen in 7a and nitrogen in 7b. Reactions of 7a and 11a are sensitized by acetone, but fragmentation of 7c is not.

  DOI：

  10.1021/jo00103a045

文献信息

• AMIDINE COMPOUND OR SALT THEREOF
  申请人：Tanikawa Tetsuya

  公开号：US20140155597A1

  公开（公告）日：2014-06-05

  The purpose of the present invention is to provide a novel compound which has an anti-fungal activity on pathogenic fungi including fungi belonging to the genus Candida , the genus Aspergillus and the genus Trichophyton and is useful as a medicinal agent. A compound represented by formula (I) (wherein A 1 represents a nitrogen atom or a group represented by formula CR 6 ; A 2 and A 3 are the same as or different from each other and independently represent a nitrogen atom or a group represented by formula CH; R 1 represents an aryl group which may be substituted by 1 to 5 substituents independently selected from a substituent group (2) or the like; R 2 and R 3 are the same as or different from each other and independently represent a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 1-6 haloalkyl group or a C 1-6 alkoxy group; and R 4 and R 5 are the same as or different from each other and independently represent a hydrogen atom, a C 1-6 haloalkyl group, a C 1-6 alkyl group or the like) or a salt thereof is useful as an anti-fungal agent.

  本发明的目的是提供一种新颖的化合物，该化合物对包括属于念珠菌属、曲霉属和毛癣菌属的病原真菌具有抗真菌活性，并可用作药物。由公式(I) (其中A 1代表氮原子或由公式CR 6表示的基团；A 2和A 3相同或不同，独立地表示氮原子或由公式CH表示的基团；R 1表示可能由1至5个独立选自取代基组(2)的取代基取代的芳基；R 2和R 3相同或不同，独立地表示氢原子、卤素原子、C 1-6烷基、C 1-6卤代烷基或C 1-6烷氧基；R 4和R 5相同或不同，独立地表示氢原子、C 1-6卤代烷基、C 1-6烷基等)或其盐用作抗真菌剂。
• Impact of the N-Terminal Amino Acid on the Formation of Pyrazines from Peptides in Maillard Model Systems
  作者：Fien Van Lancker、An Adams、Norbert De Kimpe

  DOI：10.1021/jf301315b

  日期：2012.5.9

  peptide C-terminal amino acid was investigated, this study focused on the influence of the peptide N-terminal amino acid on the production of pyrazines in model reactions of glucose, methylglyoxal, or glyoxal. Nine different dipeptides and three tripeptides were selected. It was shown that the structure of the N-terminal amino acid is determinative for the overall pyrazine production. Especially, the production

  文献中美拉德反应研究的一小部分集中在碳水化合物和肽之间的反应上。因此，在先前的研究中，其中该肽的影响的延续Ç端氨基酸进行了研究，该研究集中在肽的影响Ñ端氨基酸上生产的葡萄糖，甲基乙二醛的模型反应吡嗪类，或乙二醛。选择了九个不同的二肽和三个三肽。结果表明，N-末端氨基酸的结构决定了吡嗪的总产量。特别是在N上脯氨酸，缬氨酸或亮氨酸的情况下，2,5（6）-二甲基吡嗪和三甲基吡嗪的产量较低-末端，而对于甘氨酸，丙氨酸或丝氨酸则很高。与烷基取代的吡嗪相反，在用游离氨基酸进行实验的情况下，未取代的吡嗪总是产生更多。显然，对此观察结果必须负责不同的机制。这项研究清楚地说明了肽产生风味化合物（例如吡嗪）的能力。
• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20130183269A1

  公开（公告）日：2013-07-18

  The present disclosure is generally directed to antiviral compounds, and more specifically directed to combinations of compounds which can inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV), compositions comprising such combinations, and methods for inhibiting the function of the NS5A protein.

  本公开涉及抗病毒化合物，更具体地涉及能够抑制丙型肝炎病毒（HCV）编码的NS5A蛋白功能的化合物组合，包括这种组合的组成物，以及抑制NS5A蛋白功能的方法。
• PYRAZOLE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1762568A1

  公开（公告）日：2007-03-14

  A compound represented by formula (I): (wherein Ar1 represents a phenyl group which may have 1 to 3 substituents, or a non-substituted 5- or 6-membered aromatic heterocyclic group; Ar2 represents (i) a non-substituted phenyl group, (ii) a phenyl group which has been substituted by a lower alkyl group having 1 to 3 groups or atoms selected from among a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom, or (iii) a 5- or 6-membered nitrogen-containing aromatic heterocyclic group which has been substituted by 1 to 3 groups or atoms selected from among a lower alkyl group, a lower alkynyl group, a lower alkanoyl group, a carbamoyl group, a cyano group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom; and X represents a group represented by formula (II): (wherein the ring structure represents a 4- to 7-membered heterocyclic group which may have, in addition to the nitrogen atom shown in formula (II), one heteroatom selected from among nitrogen, oxygen, and sulfur, and which may be substituted by 1 to 4 groups or atoms selected from among a lower alkyl group, a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, an oxo group, a lower alkanoyl group, a lower alkylsulfonyl group, and a halogen atom)), a salt thereof, a solvate of the compound or the salt, and a drug.

  由式(I)表示的化合物： （其中Ar1代表可能具有1到3个取代基的苯基，或者是非取代的5-或6-成员芳香杂环基团；Ar2代表（i）非取代的苯基团，（ii）已被1到3个来自羰胺基、氨基、羟基、低烷氧基和卤原子的群或原子取代的较低烷基基团取代的苯基团，或者（iii）已被1到3个来自低烷基基团、低炔基基团、低烷酰基团、羰胺基、氰基、氨基、羟基、低烷氧基和卤原子的群或原子取代的5-或6-成员含氮芳香杂环基团；X代表由式(II)表示的基团： （其中环结构表示可能具有除了式(II)中显示的氮原子之外，从氮、氧和硫中选择的一个杂原子的4-到7-成员杂环基团，并且可能被1到4个来自低烷基基团、羰胺基、氨基、羟基、低烷氧基、氧基、低烷酰基团、低烷基磺酰基团和卤原子的群或原子取代）），其盐，该化合物或其盐的溶剂化合物，以及药物。
• NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20160168139A1

  公开（公告）日：2016-06-16

  There is provided a morpholine derivative represented by General Formula [1A] or a salt thereof. (In the formula, a ring A represents a ring represented by General Formula [I]; * represents a bonding position; Z 2 represents CH or the like; Z 1 represents CR 6 or the like; R 6 represents a hydrogen atom or the like; X 1 represents CHR 7 or the like; R 7 represents a hydrogen atom or the like; X 2 represents CH 2 or the like; R 1 and R 2 are the same as or different from each other, and each of R 1 and R 2 represents a hydrogen atom or the like; R 3 , R 4 , and R 5 are the same as or different from each other, and each of R 3 , R 4 , and R 5 represents a hydrogen atom, NR a R b , or the like; and each of R a and R b represents a hydrogen atom, a C 1-8 alkyl group which may have a substituent, or the like.)

  提供一种由通用式[1A]表示的吗啉衍生物或其盐。 （在该式中，环A代表由通用式[I]表示的环；*代表连接位置；Z 2 代表CH或类似物；Z 1 代表CR 6 或类似物；R 6 代表氢原子或类似物；X 1 代表CHR 7 或类似物；R 7 代表氢原子或类似物；X 2 代表CH 2 或类似物；R 1 和R 2 相同或不同，且R 1 和R 2 中的每一个代表氢原子或类似物；R 3 ，R 4 和R 5 相同或不同，且R 3 ，R 4 和R 5 中的每一个代表氢原子，NR a R b 或类似物；R a 和R b 中的每一个代表氢原子，可能具有取代基的C 1-8 烷基基团，或类似物。）

表征谱图