2-氯-1-(2-吡嗪基)乙酮 | 91516-39-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氯-1-(2-吡嗪基)乙酮
• 英文名称: 2-(chloroacetyl)-pyrazine
• 英文别名: 2-(α-chloroacetyl)pyrazine；chloromethyl pyrazinyl ketone；2-chloro-1-pyrazinyl-ethanone；2-Chlor-1-pyrazinyl-aethanon；2-Chloro-1-pyrazin-2-ylethanone
• CAS: 91516-39-1
• 化学式: C₆H₅ClN₂O
• 分子量: 156.572
• InChiKey: MUSVFUJCZKWUTI-UHFFFAOYSA-N

物化性质

• 熔点：
  89-89.5 °C
• 沸点：
  265.6±25.0 °C(Predicted)
• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-1-(2-吡嗪基)乙酮 在 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 (1R,2R)-(-)-N-(对甲基苯磺酰基)-1,2-二苯基乙二胺 甲酸 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Solvent and in situ catalyst preparation impacts upon Noyori reductions of aryl-chloromethyl ketones: application to syntheses of chiral 2-amino-1-aryl-ethanols

  摘要：

  As part of medicinal chemistry efforts we found it necessary to develop general syntheses of highly enantiomerically enriched 1-aryl-2-chloroethanols and 1-aryl-2-methylaminoethanols. A survey of literature methods suggested that a truly general approach had not yet been reported, encouraging us to undertake the development of such a methodology. This study describes the design, development, and reduction to practice of a general synthesis of chiral 1-aryl-2-chloroethanols and the transformation of these entities to highly enantiomerically enriched 1-aryl-2-methylaminoethanols. Of particular importance were observations of the impact of solvent and the method of catalyst preparation on the yield and enantiomerical excess of chlorohydrins prepared via Noyori transfer hydrogenations of aryl-chloromethyl ketones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.07.017
• 作为产物：
  描述：

  2-diazo-1-pyrazinyl-ethanone 在 盐酸 、 乙醚 作用下， 生成 2-氯-1-(2-吡嗪基)乙酮
  参考文献：
  名称：

  Experimental Chemotherapy of Tuberculosis. II. The Synthesis of Pyrazinamides and Related Compounds¹

  摘要：

  DOI：

  10.1021/ja01134a045

文献信息

• Pyridoquinoxaline antivirals
  申请人：——

  公开号：US20030207877A1

  公开（公告）日：2003-11-06

  The present invention provides a compound of formula I 1 or a pharmaceutically acceptable salt thereof wherein R 1 , R 2 and R 3 are as defined in the specification. The compounds are useful for the treatment of viral infections.

  本发明提供了一种具有以下结构的化合物I或其药学上可接受的盐，其中R1、R2和R3如规范中定义。这些化合物对于治疗病毒感染是有用的。
• [EN] HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS<br/>[FR] DERIVES D'HETEROARYL-ETHANOLAMINE EN TANT QU'AGENTS ANTIVIRAUX
  申请人：UPJOHN CO

  公开号：WO2004022567A1

  公开（公告）日：2004-03-18

  The present invention provides a compound of formula (I), which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种化合物(I)的公式，其作为抗病毒剂特别是抗疱疹病毒家族的药剂。
• Heterocyclic amplifiers of phleomycin. II. Thiazol-4'-ylpyrazines with phenyl substituents and strongly basic side chains
  作者：GB Barlin

  DOI：10.1071/ch9841049

  日期：——

  The preparation of a series of 2'-substituted 2-(thiazol-4'-1)pyrazines by ring closure of chloro-methylpyrazin-2-yl (and 3-,5- and 6-phenylpyrazin-2-yl) ketones with ammonium dithiocarbamate, methyl dithiocarbamate and N-methylthiourea are described. Mercapto compounds were converted into dimethylaminoalkyl(thio) derivatives. As amplifiers of phleomycin, N,N-dimethyl-3-[4'- (pyrazin-2-yl)thiazol-2'-ylthio]propylamne and N,N-dimethyl-2-[4'-(3''-phenylpyrazin-2''-yl)thiazol-2'-yl]thioethylamine showed three star activity.

  一系列 2'-取代的 2-(噻唑-4'-1)吡嗪 通过氯甲基吡嗪-2-基（以及 3、5 和 6-苯基吡嗪-2-基）酮与 2'-取代的 2-(噻唑-4'-1)吡嗪的环闭合制备一系列 氯甲基吡嗪-2-基（以及 3、5 和 6-苯基吡嗪-2-基）酮与 二硫代氨基甲酸铵、二硫代氨基甲酸甲酯和 N-甲基硫脲的闭环反应生成的吡嗪类化合物。 描述。巯基化合物被转化为二甲基氨基烷基（硫代）衍生物。 衍生物。N,N 二甲基-3-[4'-(吡嗪-2-基) (吡嗪-2-基)噻唑-2'-基硫基]丙炔和 N,N-二甲基-2-[4'-（3''-苯基吡嗪-2''-基）噻唑-2'-基]硫代乙胺 显示出三星活性。
• Heteroaryl-ethanolamine derivatives as antiviral agents
  申请人：——

  公开号：US20040110787A1

  公开（公告）日：2004-06-10

  The present invention provides a compound of formula as described herein, which are useful as antiviral agents, in particular, as agents against viruses of the herpes family.

  本发明提供了一种如下式的化合物，其作为抗病毒剂具有用途，特别是作为对抗疱疹家族病毒的剂：
• Khadse, B. G.; Lokhande, S. R.; Bhamaria, R. P., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 856 - 860
  作者：Khadse, B. G.、Lokhande, S. R.、Bhamaria, R. P.、Prabhu, S. R.

  DOI：——

  日期：——