p-chlorobenzoylmalononitrile | 46290-15-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: p-chlorobenzoylmalononitrile
• 英文别名: <4-Chlor-benzoyl>-malononitril；<4-Chlor-benzoyl>-malonsaeure-dinitril；(4-chloro-benzoyl)-malononitrile；(4-Chlor-benzoyl)-malononitril；2-(4-chlorobenzoyl)propanedinitrile
• CAS: 46290-15-7
• 化学式: C₁₀H₅ClN₂O
• 分子量: 204.615
• InChiKey: JBZXWNWJIIYHGY-UHFFFAOYSA-N

物化性质

• 熔点：
  195 °C(Solv: water (7732-18-5); methanol (67-56-1))
• 沸点：
  405.1±40.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  p-chlorobenzoylmalononitrile 在 1,4-二氧六环 、 水 、 碳酸氢钠 作用下， 生成 (α-aziridin-1-yl-4-chloro-benzylidene)-malononitrile
  参考文献：
  名称：

  Dornow; Schleese, Chemische Berichte, 1958, vol. 91, p. 1830,1832

  摘要：

  DOI：
• 作为产物：
  描述：

  氰化钠 、 对氯苯乙酮 在 potassium iodide 作用下， 以 甲醇 为溶剂， 以82%的产率得到p-chlorobenzoylmalononitrile
  参考文献：
  名称：

  Electrolytic oxidation of ketones in a methanolic solution of sodium cyanide in the presence of catalytic amounts of potassium iodide

  摘要：

  The indirect electrolytic oxidation of ketones (1) in methanolic sodium cyanide was studied using iodide ion as a mediator. The product and the reactivity of ketone were dependent on the nature of the alkyl groups attached to the carbonyl group. Thus, 2-alkyl and 2,2-dialkyl ketones afforded the corresponding oxiranecarbonitriles 2 along with small amounts of methyl oxiranecarboximidate 3, whereas acetophenones exclusively yielded benzoylpropanedinitriles 4.

  DOI：

  10.1021/jo00075a010

文献信息

• CYANOTHIOACETAMIDE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1367049A1

  公开（公告）日：2003-12-03

  A thioacetamide compound represented by the formula (1) (1) which is useful as an intermediate for an acrylonitrile derivative serving as an active ingredient for medicines and agricultural chemicals, especially insecticides/acaricides; a process for producing the compound; and a process for producing a 3-oxo-2-(2-thiazolyl)propanenitrile compound, characterized by reacting the compound represented by the formula (1) with phenacyl halide.

  公式（1）表示的一种硫代乙酰胺化合物，可作为丙烯腈衍生物的中间体，用作药品和农药，特别是杀虫剂/杀螨剂的活性成分；一种生产该化合物的方法；以及一种生产3-氧代-2-(2-噻唑基)丙腈化合物的方法，其特征在于将公式（1）表示的化合物与苯乙酰卤反应。
• Preparation of 4,6-diaminopyrazolo[3,4-<i>d</i>] pyrimidines with variations in substitution at the 1- and 3-positions
  作者：Philip L. Southwick、Balram Dhawan

  DOI：10.1002/jhet.5570120621

  日期：1975.12

  of new derivatives of 4,6-diaminopyrazolo[3,4-d]pyrimidines substituted in the 1- and/or 3-positions have been obtained from reactions of guanidine carbonate with 1- and/or 3-substituted-5-amino-4-cyanopyrazoles. Use of triethanolamine as a reaction medium permitted preparation of certain derivatives which could not be obtained from the previously described fusion procedure. Some derivatives of 4-aminopyrazolo[3

  从碳酸胍与1-和/或3-取代的-5-的反应中获得了许多在1-和/或3-位被取代的4,6-二氨基吡唑并[3,4- d ]嘧啶的新衍生物。氨基-4-氰基吡唑。使用三乙醇胺作为反应介质允许制备某些衍生物，这些衍生物不能从前述的融合方法中获得。还从甲酰胺与相同的5-氨基-4-氰基吡唑的反应中获得了在1-和/或3-位被取代的4-氨基吡唑并[3，4- d ]嘧啶的一些衍生物。筛选了新化合物的体内抗疟活性，但发现它们没有活性。
• Converting a weaker ATP-binding site inhibitor into a potent hetero-bivalent ligand by tethering to a unique peptide sequence derived from the same kinase
  作者：Samanth Reddy Kedika、D. Gomika Udugamasooriya

  DOI：10.1039/c8ob01406j

  日期：——

  binding site directed moiety or a ligand to an ATP-binding site inhibitor has been used as a strategy to increase kinase binding affinity and specificity. The moieties typically used here as the second binding partner are varied from simple organic groups to ligands such as peptides derived from substrate binding site sequences. So far these hetero-bivalent ligands were developed targeting additional

  将额外的结合位点定向的部分或配体附接到ATP结合位点抑制剂已被用作增加激酶结合亲和力和特异性的策略。此处通常用作第二结合配偶体的部分从简单的有机基团到配体例如衍生自底物结合位点序列的肽而变化。到目前为止，已经开发了这些杂二价配体，其靶向更靠近ATP结合袋的其他结合位点。在这里，我们通过以下方式报告了这种异双价构想的独特扩展：（I）靶向距ATP结合位点更远的新结合位点，（II）使用独特地衍生自相同激酶序列一部分的肽据报道会转动并结合到上述距离结合口袋（用作第二结合配体）上，（III）通过多步骤而完整的珠上合成方法来优化更长和更灵活的接头（以连接ATP结合位点抑制剂和上述第二个肽序列）。我们将非常弱的EphA3激酶ATP结合位点抑制剂-PP2拴系到一个独特的5聚体肽序列，该序列源自EphA3的连接区域，该区域连接激酶和不育的α基序（SAM），从而将其转化为有效的异二价配体。域。我们的设计着重于
• Cyanothioacetamide derivative and process for producing the same
  申请人：——

  公开号：US20040059122A1

  公开（公告）日：2004-03-25

  A thioacetamide compound represented by the formula (1) which is useful as an intermediate for an acrylonitrile derivative serving as an active ingredient for medicines and agricultural chemicals, especially insecticides/acaricides; a process for producing the compound; and a process for producing a 3-oxo-2-(2-thiazolyl)propanenitrile compound, characterized by reacting the compound represented by the formula (1) with a phenacyl halide. 1

  一种由式(1)表示的硫代乙酰胺化合物，可作为丙烯腈衍生物的中间体，该衍生物可作为药物和农药，特别是杀虫剂/杀螨剂的活性成分；一种生产该化合物的工艺；以及一种生产3-氧代-2-(2-噻唑基)丙腈化合物的工艺，其特征在于由式(1)表示的化合物与苯甲酰卤反应。 1
• Application of time-variable feedback to the input amplifier of pulse magnetic resonance spectrometers: Experimental studies
  作者：A. V. Koptioug、E. J. Reijerse、A. A. K. Klaassen

  DOI：10.1007/bf03166126

  日期：2002.12

  Experimental research on the improvement of the sensitivity and time resolution of pulsed magnetic resonance spectrometers is discussed. It is shown that application of a time-variable feedback of a signal to the input of the receiver amplifier can decouple the "fixed" relationship between the quality factor Q and the ringdown time of the resonance system. Experiments were performed with low-frequency, radio-frequency and microwave pulse-type magnetic resonance receivers. Modifications of an S/C-band electron spin echo modulation spectrometer carried out to check the "time-variable feedback" performance are described. It is demonstrated that the application of a time-variable feedback can significantly reduce the ringdown time and improve the recovery properties of the magnetic resonance receiver system. It is also demonstrated that the time-variable feedback can improve the overall receiver sensitivity due to the fact that the working bandwidth of the resonance system can be optimized separately for the transmitting and the receiving mode. Signal values could be increased at least three times and the signal-to-noise ratio about 1.5-2 times. The largest improvement is achieved with the initially overcoupled resonator. Experimental spectra of test samples for different settings of the time-variable feedback are shown.