potassium fulminate | 15736-99-9

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: potassium fulminate
• 英文别名: fulminic acid ; potassium-salt；Knallsaeure; Kalium-Salz；Knallsaeure; Kaliumfulminat；potassium;oxidoazaniumylidynemethane
• CAS: 15736-99-9
• 化学式: CNO*K
• 分子量: 81.1154
• InChiKey: LOMWRVTZROPEGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.59
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium fulminate 在 一水合肼 作用下， 生成 联二脲
  参考文献：
  名称：

  Bock,H.; Kroner,J., Chemische Berichte, 1966, vol. 99, p. 2039 - 2051

  摘要：

  DOI：
• 作为产物：
  描述：

  mercury(II) fulminate 在 K-amalgame 作用下， 以 甲醇 为溶剂， 生成 potassium fulminate
  参考文献：
  名称：

  Woehler, L.; Weber, A., Berichte der Deutschen Chemischen Gesellschaft, 1929, vol. 62, p. 2742 - 2748

  摘要：

  DOI：

文献信息

• (Chloro-phenylthio-methylene)dimethylammonium chloride (CPMA) an efficient reagent for selective chlorination and bromination of primary alcohols
  作者：Laurent Gomez、Françoise Gellibert、Alain Wagner、Charles Mioskowski

  DOI：10.1016/s0040-4039(00)00940-0

  日期：2000.8

  (Chloro-phenylthio-methylene)dimethylammonium chloride reacts smoothly with a variety of alcohols, to afford the corresponding alkyl chloride in good yields. In the presence of tetrabuthylammonium bromide the corresponding bromide is obtained. Selective halogenation of primary hydroxyl groups in the presence of an unprotected secondary one is described. The mild reaction conditions involved are compatible

  （氯-苯硫基-亚甲基）二甲基氯化铵可与多种醇平稳反应，以高收率得到相应的烷基氯化物。在四丁基溴化铵存在下，获得相应的溴化物。描述了在未保护的仲羟基存在下伯羟基的选择性卤化。所涉及的温和的反应条件与主要的醇保护基以及对酸敏感的官能团如环氧化物相容。
• Synthesis and Anti-proliferative Activity of Substituted-Anilinoquinazolines and Its Relation to EGFR Inhibition
  作者：D. Ella、K. Saleh、M. Hassan、N. Hamdy、M. El-Araby、K.A. Abouzid

  DOI：10.1055/s-0032-1312601

  日期：2012.8

  4-Anilinoquinazoline is a privileged scaffold in developing small molecule inhibitors of tyrosine kinases (TK) especially epidermal growth factor receptor (EGFR). 2 series belonging to 3'-substituted-4-anilinoquinazoline scaffold were synthesized and screened in vitro on isolated and a breast cancer cell line. The research aims at exploring the activity of compounds having diverse substituents at 3' position of the aniline moiety. Generally, the meta-substituted-anilinoquinazolines exhibited significant inhibitory activity against isolated enzyme as well as MCF-7 cancer cell line. For instance, compound 10b inhibited >99% of EGFR activities at 10 µM concentration. 6 of the tested compounds exhibited range of anti-proliferative activity below 10 µM potency. In particular, compounds 6e and 10b displayed the highest activity among the tested compounds with IC50 values equal to 8.6 and 4.84 µM, respectively. Structure-based tools were utilized to rationalize EGFR-TK binding of compound 10b since it is the most active compound in the enzyme inhibition test.

  4-苯胺喹唑啉是开发小分子酪氨酸激酶（TK）抑制剂，特别是表皮生长因子受体（EGFR）的优选骨架。合成了两系列3'-取代-4-苯胺喹唑啉骨架的化合物，并在分离的酶和乳腺癌细胞系MCF-7上进行了体外筛选。研究旨在探讨在苯胺部分的3'位具有不同取代基的化合物的活性。一般来说，间位取代的苯胺喹唑啉对分离酶和MCF-7癌细胞系表现出显著的抑制活性。例如，化合物10b在10 μM浓度下抑制了超过99%的EGFR活性。测试的化合物中，有6种表现出低于10 μM有效性的抗增殖活性。特别是，化合物6e和10b在测试的化合物中显示出最高的活性，IC50值分别为8.6和4.84 μM。利用基于结构的工具对化合物10b与EGFR-TK的结合进行了理性分析，因为它是酶抑制测试中最活跃的化合物。
• Reactivity of tetramethylplatinum(IV) complexes: Thermal reactions with electrophiles and unsaturated reagents
  作者：Janet E. Hux、Richard J. Puddephatt

  DOI：10.1016/s0020-1693(00)88287-0

  日期：1985.5

  The complexes [PtMe4(NN⌢)], NN⌢ = 2,2′-bi-pyridyl or 1,10-phenanthroline, react with HX to give fac-[PtMe3X(NN⌢)] , where X = Cl, O2CCF3, O2CCH3, OPh, SPh, OMe, with HgCl2 to give fac- [PtMe3Cl(NN⌢)] , with SO2 to give fac-[PtMe3(SO2-Me)(NN⌢)], with C2F4 to give [PtMe3Cl(NN⌢)}2(μ-C2F4)] and with C2(CN)4 to give [PtMe3(NN⌢)}2-(μ-N,C-C2(CN)4}]. The reactions are suggested to involve initial electrophilic

  配合物[PtMe 4（NN⌢ ）]，NN⌢ = 2,2'-联吡啶或1,10-菲咯啉，与HX反应生成fac- [PtMe 3 X（NN⌢ ）]，其中X = Cl ，O 2 CCF 3，O 2 CCH 3，OPh，SPh，OMe与HgCl 2一起生成fac- [PtMe 3 Cl（NN⌢ ）]，并与SO 2生成fac- [PtMe 3（SO 2 -Me） （NN⌢ ）]，用C 2 F 4给出[PtMe 3 Cl（NN⌢ ）} 2（μ-C 2 F 4）]和C 2（CN）4生成[PtMe 3（NN⌢ ）} 2-（μ- N，CC 2（CN）4 }]。在相互的一个电攻击反methylplatinum键（HX，SO 2）或电子转移从σ（PTC）轨道在试剂[C 2 ˚F 4，C 2（CN）4 ]。
• Improved synthesis of N1-substituted orotic acid derivatives
  作者：Nicholas A. Senger、Jeannette T. Bowler、Rene S. Mercado、Sidney Lin、Weiming Wu

  DOI：10.1016/j.tetlet.2013.05.136

  日期：2013.8

  An improved method for the synthesis of N1-substituted orotic acid derivatives is reported. The method involves sequential incorporation of nitrogen atoms to the pyrimidine structure from simple starting materials and thus allows the synthesis of N1-substituted orotic acid derivatives with single 15N label at either N-1 or N-3.

  报道了一种合成 N1 取代的乳清酸衍生物的改进方法。该方法涉及从简单的起始材料中将氮原子顺序结合到嘧啶结构中，从而允许合成 N1 取代的乳清酸衍生物，在 N-1 或 N-3 处具有单个15 N 标记。
• K₄Cu₃(C₃N₃O₃)₂X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds
  作者：Kaijin Kang、Fei Liang、Xianghe Meng、Jian Tang、Tixian Zeng、Mingjun Xia、Zheshuai Lin、Wenlong Yin、Kang Bin

  DOI：10.1039/d0cc04547k

  日期：——

  2D materials are gaining more and more interest owing to their promising applications in future electronic industry. Here, two new quasi-2D metal cyanurates, K4Cu3(C3N3O3)2X (X = Cl, Br), were grown and characterized for the first time. They belong to the trigonal Pm1 space group and feature an infinite layer, constructed by p–p conjugation in the (C3N3O3) planar six-membered-rings and d–p conjugation

  由于2D材料在未来电子行业中的应用前景广阔，因此越来越受到关注。在此，首次生长并表征了两种新的准2D金属氰尿酸酯K 4 Cu 3（C 3 N 3 O 3）2 X（X = Cl，Br）。它们属于三角形P m 1空间群，并具有无限层，其由（C 3 N 3 O 3）平面六元环中的p–p共轭和N–Cu–N中的d–p共轭构成。线性链。此外，它们是具有3.5 eV的合适带隙的间接半导体，位于gC 3 N之间4和h-BN。还通过理论计算研究了电子态和各向异性光学响应。