4-乙氧基-6-甲基-2-嘧啶胺 | 7749-48-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-乙氧基-6-甲基-2-嘧啶胺
• 英文名称: 2-amino-4-methyl-6-ethoxypyrimidine
• 英文别名: 4-ethoxy-6-methyl-pyrimidin-2-ylamine；4-Aethoxy-6-methyl-pyrimidin-2-ylamin；4-Ethoxy-6-methyl-2-pyrimidinamine；4-ethoxy-6-methylpyrimidin-2-amine
• CAS: 7749-48-6
• 化学式: C₇H₁₁N₃O
• 分子量: 153.184
• InChiKey: AWPLOWQQKSPVMO-UHFFFAOYSA-N

物化性质

• 熔点：
  89-90 °C
• 沸点：
  334.5±34.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  4-乙氧基-6-甲基-2-嘧啶胺 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 49.0h， 生成 5-Ethoxy-2,7-dimethylimidazo[1,2-a]pyrimidine-3-carboxylic acid
  参考文献：
  名称：

  Research on heterocyclic compounds — Part XXXIX. 2-Methylimidazo[1,2-a]pyrimidine-3-carboxylic derivatives: Synthesis and antiinflammatory activity

  摘要：

  The synthesis of a group of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic esters, acids and amides is described. The structures of new compounds are supported by H-1 and C-13 NMR spectre. These compounds were tested in vivo for their antiinflammatory, analgesic. and ulcerogenic activity. Eight new compounds out of fifteen showed remarkable dose-dependent antiinflammatory action in the carrageenan rat paw edema (1/2-1/3 x indomethacin) but weak analgesic activity in the acetic acid writhing test together with negligible ulcerogenic action. The new compounds were found to be lacking in inhibitory activity on cyclooxygenase in vitro. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80005-6
• 作为产物：
  描述：

  2-氨基-4-氯-6-甲基嘧啶 、 乙醇 在 sodium ethanolate 作用下， 反应 4.0h， 以98%的产率得到4-乙氧基-6-甲基-2-嘧啶胺
  参考文献：
  名称：

  Research on heterocyclic compounds — Part XXXIX. 2-Methylimidazo[1,2-a]pyrimidine-3-carboxylic derivatives: Synthesis and antiinflammatory activity

  摘要：

  The synthesis of a group of 2-methylimidazo[1,2-a]pyrimidine-3-carboxylic esters, acids and amides is described. The structures of new compounds are supported by H-1 and C-13 NMR spectre. These compounds were tested in vivo for their antiinflammatory, analgesic. and ulcerogenic activity. Eight new compounds out of fifteen showed remarkable dose-dependent antiinflammatory action in the carrageenan rat paw edema (1/2-1/3 x indomethacin) but weak analgesic activity in the acetic acid writhing test together with negligible ulcerogenic action. The new compounds were found to be lacking in inhibitory activity on cyclooxygenase in vitro. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(98)80005-6

文献信息

• Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase
  作者：Chuanwen Sun、Xiaodong Zhang、Hai Huang、Pei Zhou

  DOI：10.1016/j.bmc.2006.08.034

  日期：2006.12

  A series of substituted acyl(thio)urea and 2H-1,2,4-thiadiazolo [2,3-a] pyrimidine derivatives were prepared and both of their cell culture and enzymatic activity toward influenza virus were tested. Their in vitro neuraminidase inhibitory activities were in good agreement with the corresponding activities in cultured cells and they were evaluated as potent neuraminidase inhibitors. Of the analogues

  制备了一系列取代的酰基（硫）脲和2H-1,2,4-噻二唑[2,3-a]嘧啶衍生物，并测试了它们的细胞培养和对流感病毒的酶活性。它们的体外神经氨酸酶抑制活性与培养细胞中的相应活性高度吻合，并且被评价为有效的神经氨酸酶抑制剂。在显示IC（50）s <0.1microM的类似物中，有16和60被进一步研究，认为它们具有未来发展的最大潜力。描述了代表性化合物的分子对接工作，以提供对其作用机理的更多见解，并进一步使本文中该新系列的观察合理化，该新系列代表了新型的高效和选择性的流感病毒抑制剂。
• Ultrasonic Irradiated Synthesis of<i>N</i>-(5-aryl-2-furoyl)thiourea Derivatives Containing Substituted Pyrimidine Ring under Phase Transfer Catalysis
  作者：Si-Jia Xue、Shao-Yong Ke、Tai-Bao Wei、Li-Ping Duan、Yan-Ling Guo

  DOI：10.1002/jccs.200400151

  日期：2004.10

  A series of N-(5-aryl-2-furoyl)thiourea derivatives containing substituted pyrimidine ring were synthesized in good yield using PEG-400 as solid-liquid phase transfer catalyst under ultrasonic irradiation. The structures of all newly synthesized compounds were elucidated and confirmed by IR, 1 H NMR and elemental analysis. Our method has the advantage of shorter reaction time and higher reaction yield

  以PEG-400为固-液相转移催化剂，在超声辐照下以良好收率合成了一系列含取代嘧啶环的N-(5-aryl-2-furoyl)硫脲衍生物。所有新合成的化合物的结构均通过 IR、1 H NMR 和元素分析进行​​了阐明和确认。与传统的加热方法相比，我们的方法具有反应时间更短，反应产率更高的优点。初步生物学试验表明，部分目标化合物对单子叶植物和双子叶植物的根、茎有较好的抑制活性。
• Synthesis of Hitherto Unknown 4,4-Bis(methylthio)but-3-en-2-one-1,1,1,3- d4 and Its Application as 1,3-Dielectrophilic Building Block for the Synthesis of Deuterated Heterocycles and Aromatics
  作者：T.P. Charanraj、P. Ramachandra、N. Ramesh、H. Junjappa

  DOI：10.2174/1570178615666171205095718

  日期：2018.4.12

  Acetone-d6 has been transformed for the first time to 4,4-bis(methylthio)but-3-en-2-one- 1,1,1,3-d4. This tetradeutero-α-oxoketenedithioacetal is shown to be an excellent 1,3-dielectrophilic building block for the synthesis of 5- and 6-membered deuterated heterocycles and aromatics.

  丙酮-d6首次转化为4,4-双（甲硫基）but-3-en-2-one-1,1,1,3-d4。该四氘代-α-氧杂环丁二硫缩醛被证明是用于合成5和6元氘代杂环和芳族化合物的极好的1,3-二亲电子结构单元。
• MEANS FOR OXIDATIVE DYEING OF KERATIN FIBERS CONTAINING NOVEL TETRA-SUBSTITUTED DERIVATIVES OF PYRIMIDINE
  申请人：Henkel AG & Co. KGaA

  公开号：US20160296447A1

  公开（公告）日：2016-10-13

  Agents for oxidatively dyeing keratinous fibers include, in a cosmetic carrier, as an oxidation dye precursor of the developer type, at least one compound of formula (I) as set forth herein, in which R 1 , R 2 can stand independently of each other, for a hydrogen atom, different substituted alkyl groups, and/or different substituted acrylic groups, and Y stands for a hydroxyl group, an amino group, or a C 1 -C 6 alkylamino group, with the proviso that at least one of the moieties from the group R 1 and R 2 does not stand for a hydrogen atom, and/or the physiologically compatible salt thereof.

  氧化染发角蛋白纤维的代理剂包括至少一种公式（I）所述的氧化染料前体，作为开发剂类型，与化妆品载体一起使用。其中R1，R2可以独立地代表氢原子、不同的取代烷基基团和/或不同的取代丙烯基基团，Y代表一个羟基、氨基或C1-C6烷基氨基基团，但前提是来自R1和R2群中的至少一个官能团不代表氢原子，和/或其生理兼容的盐。
• Xue, Sijia; Guo, Yanling; Li, Jingzhi, Journal of the Indian Chemical Society, 2005, vol. 82, # 3, p. 262 - 264
  作者：Xue, Sijia、Guo, Yanling、Li, Jingzhi、Ke, Shaoyong、Duan, Liping

  DOI：——

  日期：——