potassium tricyanomethide | 875222-11-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: potassium tricyanomethide
• 英文别名: potassium tricyanomethanide；Kaliumtricyanmethanid
• CAS: 875222-11-0
• 化学式: C₄KN₃
• 分子量: 129.162
• InChiKey: AQMITBQQKOPQHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.12
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  71.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  potassium tricyanomethide 在 六氟偶砷酸(V)二硫杂硝鎓 作用下， 以 liquid sulphur dioxide 为溶剂， 反应 1.5h， 以72%的产率得到
  参考文献：
  名称：

  Cycloaddition reactions of [SNS][AsF6] with potassium tricyanomethanide

  摘要：

  The reactions of 1, 2 and 3 equivalents of [SNS] [AsF6] with K[C(CN)3] in liquid SO2 generated three cycloaddition products (NC)2C activated CNSNS 1, [(NC)C(activated CNSNS)2][AsF6] 2 and [C(activated CNSNS)3] [AsF6]2.SO2 3. These were characterised by IR spectroscopy, cyclic voltammetry and elemental analysis. Compounds 1 and 3 were further characterised by N-14 and C-13 NMR, UV/VIS spectroscopy, X-ray crystallography and (for 1) mass spectroscopy. Compound 1 crystallises as polymeric sheets of dithiadiazole units held together through CN ... S interactions and with a dihedral angle of 117.3-degree between planes. Compound 3 shows three equivalent activated CNSNS rings attached to a central carbon atom, the dication possessing C3h symmetry. Molecular orbital calculations were used to deduce a probable reaction mechanism.

  DOI：

  10.1039/dt9920000859
• 作为产物：
  描述：

  2,2-二溴丙二腈 、 氰化钾 在 potassium bromide 作用下， 以 二乙二醇二甲醚 为溶剂， 以53%的产率得到potassium tricyanomethide
  参考文献：
  名称：

  Bock, Hans; Dammel, Ralph, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1987, vol. 42, # 3, p. 315 - 322

  摘要：

  DOI：

文献信息

• BORON OR ALUMINUM COMPLEXES
  申请人：Armand Michel

  公开号：US20110171112A1

  公开（公告）日：2011-07-14

  The present invention relates to boron and aluminum complexes, to the preparation thereof, and to the use thereof for solubilizing ionic compounds. The complexes have one of the following formulae: in which D represents B or Al; R 1 represents R, R F , NO 2 , CN, C(═O)OR, RSO 2 , or R F SO 2 ; —X 1 —, —X 2 —, —X 3 — and X 4 each represent a divalent group >C═O, >C═NC≡N, >C═C(C≡N) 2 , >CR 2 R 3 or >SO 2 ; —Y 1 —, —Y 2 — and —Y 3 — each represent a divalent group —O—, >N(C≡N), >N(COR F ), >N(SO 2 R 4 ), >NR 4 , >N(COR 4 ) or >N(SO 2 R F ); R, R 2 and R 3 each represent H, an alkyl group, an aryl group, an alkylaryl group, an arylalkyl group, an oxaalkyl group or an alkenyl group; R 4 represents an alkyl group, an aryl group, an alkylaryl group, a heteroaryl group, an arylalkyl group, an oxaalkyl group, an alkenyl group or an R F CH 2 — group; R F is a perfluoroalkyl group, a partially fluorinated alkyl group, or a partially or totally fluorinated phenyl group; each of the R′ 2 and R′ 3 groups represents R or F.

  本发明涉及硼和铝配合物，其制备方法以及用于溶解离子化合物的用途。这些配合物具有以下公式之一： 其中D代表B或Al；R1代表R、RF、NO2、CN、C(═O)OR、RSO2或RF SO2；—X1—、—X2—、—X3—和X4每个代表一个二价基团>C═O、>C═NC≡N、>C═C(C≡N)2、>CR2R3或>SO2；—Y1—、—Y2—和—Y3—每个代表一个二价基团—O—、>N(C≡N)、>N(CORF)、>N(SO2R4)、>NR4、>N(COR4)或>N(SO2RF)；R、R2和R3每个代表H、烷基、芳基、烷基芳基、芳基烷基、氧代烷基或烯基；R4代表烷基、芳基、烷基芳基、杂芳基、芳基烷基、氧代烷基、烯基或RFCH2—基团；RF是全氟烷基、部分氟化烷基或部分或完全氟化苯基；R′2和R′3中的每个代表R或F。
• Tris(ethylenedithio)- and Tris(1,2-benzodithio)-substituted Trimethylenemethanes
  作者：Toyonari Sugimoto、Kaoru Ikeda、Jun Yamauchi

  DOI：10.1246/cl.1991.29

  日期：1991.1

  Trimethylenemethanes substituted with three ethylenedithio or 1,2-benzodithio groups were generated by electrochemical reduction of the corresponding dication salts, and investigated by ESR. For the latter diradical the triplet ESR spectrum was observed and the temperature dependence of the signal intensity established the ground triplet state. The ESR spectrum of the former diradical could not be detected because of its high reactivity so as to allow ring-closure to the methylenecyclopropane.

  通过电化学还原相应的双盐生成被三个亚乙基二硫基或1,2-苯并二硫基取代的三亚甲基甲烷，并通过ESR进行研究。对于后者的双自由基，观察到三重态 ESR 光谱，并且信号强度的温度依赖性建立了基态三重态。前一种双自由基的ESR谱由于其高反应性而无法检测到，从而使亚甲基环丙烷闭环。
• Di- and multifunctional monomers for producing tetrazole based polymers
  申请人：The United States of America as represented by the Secretary of the Navy

  公开号：US07544811B1

  公开（公告）日：2009-06-09

  The present invention discloses monomers of structure (IV) wherein “X” is an alkyl, aryl, or oligoether group, and “R” is an alkyl, aryl, or oligoether group that is chemically bonded to the N1 or N2 position of each of the tetrazole rings. The monomers of the present invention are suitable as binders in energetic compositions.

  本发明揭示了结构（IV）的单体，其中“X”是烷基，芳基或寡醚基，“R”是与每个四唑环的N1或N2位置化学键合的烷基，芳基或寡醚基。本发明的单体适用于能量组分中的粘合剂。
• Rakus, Klaus; Verevkin, Sergej P.; Beckhaus, Hans-Dieter, Chemische Berichte, 1994, vol. 127, # 11, p. 2225 - 2234
  作者：Rakus, Klaus、Verevkin, Sergej P.、Beckhaus, Hans-Dieter、Ruechardt, Christoph

  DOI：——

  日期：——
• Synthesis of multifunctional hydroxyethyl tetrazoles
  作者：Andrew Chafin、David J. Irvin、Mark H. Mason、Susan L. Mason

  DOI：10.1016/j.tetlet.2008.03.125

  日期：2008.6

  A series of di-, tri-, and tetra-tetrazoloalkanes were synthesized from the corresponding nitrile and sodium azide. These were alkylated to give hydroxy terminated chains for possible use as high energy oligomers. Published by Elsevier Ltd.