1-hydroxyimino-3-dimethyl-2-butanone | 51625-32-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-hydroxyimino-3-dimethyl-2-butanone
• 英文别名: 3,3-dimethyl-2-oxobutanal oxime；3,3-dimethyl-2-oxo-butyraldehyde oxime；Pivaloyl nitrone；1-hydroxyimino-3,3-dimethylbutan-2-one
• CAS: 51625-32-2
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: GISPZPIPXRSEIV-UHFFFAOYSA-N

物化性质

• 沸点：
  217.3±23.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.7
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  1-hydroxyimino-3-dimethyl-2-butanone 在 吡啶 、 copper(II) sulfate 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles

  摘要：

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.

  DOI：

  10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#
• 作为产物：
  描述：

  特戊酰基乙酸乙酯 生成 1-hydroxyimino-3-dimethyl-2-butanone
  参考文献：
  名称：

  Bernadou; Quan, European Journal of Medicinal Chemistry, 1975, vol. 10, # 6, p. 599 - 601

  摘要：

  DOI：

文献信息

• Synthesis and antiinflammatory activity of trisubstituted pyrimidines and triazines
  作者：Gregory B. Bennett、Robert B. Mason、Lee J. Alden、James B. Roach

  DOI：10.1021/jm00205a006

  日期：1978.7

  A series of mono-, bi-, and tricyclic pyrimidines and as-triazines was prepared and their antiinflammatory activity measured against carrageenan-induced edema in the rat. The more active analogues (ED50), including 4-pyri-dylpyrimidines 4a (38), 4b (47), and 4g (49) and 2-hydroxypyrimidine 8r (43), were then tested against adjuvant-induced edema in the rat. None was active in the adjuvant arthritis

  制备了一系列的单环，双环和三环嘧啶和三嗪，并测定了它们对角叉菜胶诱导的大鼠水肿的抗炎活性。然后测试了更具活性的类似物（ED50），包括4-pyri-dylpyrimidines 4a（38），4b（47）和4g（49）和2-hydroxypyrimidine 8r（43），以对抗佐剂诱导的大鼠水肿。在佐剂性关节炎模型中没有一个是活跃的。
• 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。
• Novel Bronchodilators:  Synthesis, Transamination Reactions, and Pharmacology of a Series of Pyrazino[2,3-<i>c</i>][1,2,6]thiadiazine 2,2-Dioxides
  作者：Nuria Campillo、Concepción García、Pilar Goya、Ibon Alkorta、Juan A. Páez

  DOI：10.1021/jm000970x

  日期：2000.11.1

  The synthesis, pharmacological evaluation, and structure-activity relationships of a new class of bronchodilator agents, derivatives of pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxides are described. The compounds were prepared by reaction of 3,4,5-triamino-1,2, 6-thiadiazine 1,1-dioxide with suitable 1,2-dicarbonyl compounds or alpha-hydroxyiminoketones and subsequent N-alkylation. A transamination

  描述了一种新型的支气管扩张剂吡唑并[2,3-c] [1,2,6]噻二嗪2,2-二氧化物的合成，药理评价和构效关系。通过使3,4,5-三氨基-1,2-噻二嗪1,1-二氧化物与合适的1,2-二羰基化合物或α-羟基亚氨基酮反应，然后进行N-烷基化反应来制备化合物。首次报道了用于合成在4-氨基具有不同取代基的衍生物的氨基转移过程。在体外筛选吡嗪并[2,3-c] [1,2,6]噻二嗪衍生物的气管舒张活性，并与茶碱相比将豚鼠体内的活性化合物作为支气管扩张剂进行评估。在研究的化合物中，最有趣的特性是4-氨基-1-乙基-6-甲基衍生物（21）。还报道了该衍生物的毒理学评价。
• Bernadou; Quan, European Journal of Medicinal Chemistry, 1975, vol. 10, # 6, p. 599 - 601
  作者：Bernadou、Quan

  DOI：——

  日期：——
• The Synthesis and Insecticidal Activity of a Series of 2‐Aryl‐1,2,3‐triazoles
  作者：Ian K. Boddy、Geoff G. Briggs、Richard P. Harrison、Tim H. Jones、Mary J. O'Mahony、Ian D. Marlow、Brian G. Roberts、R. John Willis、Richard Bardsley、Jim Reid

  DOI：10.1002/(sici)1096-9063(199610)48:2<189::aid-ps461>3.0.co;2-#

  日期：1996.10

  Two synthetic routes to 2-aryl-1,2,3-triazoles are outlined. These have been used to synthesise a wide range of compounds of this structural type. Their insecticidal activities were evaluated against a number of veterinary and public health pests. The activity of these compounds is especially good against the housefly (Musca domestica). Structure-activity relationships are discussed particularly in relation to the physical properties of the compounds.