ethyl 3-(hydroxyimino)-2,4-dioxopentanoate | 70015-71-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 3-(hydroxyimino)-2,4-dioxopentanoate
• 英文别名: Ethyl-α-(hydroxyimino)-aceto-pyruvat
• CAS: 70015-71-3
• 化学式: C₇H₉NO₅
• 分子量: 187.152
• InChiKey: KHDBLNWZOANNTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.46
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.03
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 3-(hydroxyimino)-2,4-dioxopentanoate 、 草酸丁肼 在 sodium dithionite 作用下， 以 乙醇 、 水 为溶剂， 反应 0.67h， 生成 ethyl 4-amino-1-butyl-5-methyl-1H-pyrazole-3-carboxylate 、
  参考文献：
  名称：

  Synthesis of novel 2,3-substituted-2,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-diones

  摘要：

  Novel 2,3-substituted-2,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-diones were successfully synthesized with moderate to good yields using a new synthetic approach. The structures of the regio-isomers in this series were determined by single crystal X-ray analysis and NMR spectra. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.098
• 作为产物：
  描述：

  ethyl 2-hydroxy-4-oxopent-2-enoate 在 三氧化二氮 作用下， 以 乙醇 为溶剂， 生成 ethyl 3-(hydroxyimino)-2,4-dioxopentanoate
  参考文献：
  名称：

  Synthesis of novel 2,3-substituted-2,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-diones

  摘要：

  Novel 2,3-substituted-2,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-diones were successfully synthesized with moderate to good yields using a new synthetic approach. The structures of the regio-isomers in this series were determined by single crystal X-ray analysis and NMR spectra. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.098

文献信息

• Metal Nitrite: A Powerful Oxidizing Reagent
  作者：Mahiuddin Baidya、Hisashi Yamamoto

  DOI：10.1021/ja206736q

  日期：2011.9.7

  An efficient and simple source of nitroso reagents and their oxidation reactions are described. The combination of a Lewis acid and a metal nitrite was applied to the oxidation of silyl enol ethers. Amino acid and peptide derivatives were easily accessed through in situ C-C bond cleavage of fully substituted silyl enol ethers upon oxidation.

  描述了亚硝基试剂及其氧化反应的有效且简单的来源。路易斯酸和金属亚硝酸盐的组合应用于甲硅烷基烯醇醚的氧化。通过氧化时完全取代的甲硅烷基烯醇醚的原位 CC 键裂解，可以很容易地获得氨基酸和肽衍生物。
• A New Synthetic Method for Some Pyrazolo[4,3-<i>d</i>]pyrimidines
  作者：Hisashi Takei、Nobuyoshi Yasuda、Hidetsugu Takagaki

  DOI：10.1246/bcsj.52.208

  日期：1979.1

  3,7-Dihydroxy- and 3-substituted 7-hydroxypyrazolo[4,3-d]pyrimidines were synthesized from diethyl oxaloacetate and ethyl acylpyruvates via ethyl 4-amino-5-oxo-2-pyrazoline-3-carboxylate hydrochloride and ethyl 5-substituted 4-amino-3-pyrazolecarboxylates, respectively.

  3,7-二羟基-和3-取代的7-羟基吡唑并[4,3-d]嘧啶是由草酰乙酸二乙酯和酰基丙酮酸乙酯通过4-氨基-5-氧代-2-吡唑啉-3-羧酸乙酯盐酸盐和5乙酯合成的-取代的 4-氨基-3-吡唑羧酸盐，分别。