2,2-dicyanohexanenitrile | 62679-52-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2-dicyanohexanenitrile
• 英文别名: 1,1,1-Tricyanopentan；Pentane-1,1,1-tricarbonitrile
• CAS: 62679-52-1
• 化学式: C₈H₉N₃
• 分子量: 147.18
• InChiKey: FZCTYVQONSBXOR-UHFFFAOYSA-N

物化性质

• 沸点：
  265.4±20.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-dicyanohexanenitrile 在 五氯化磷 作用下， 以 四氯化碳 为溶剂， 生成 N-(1,1-Dichloro-2,2-dicyanohexyl)phosphorimidic trichloride
  参考文献：
  名称：

  Kalenskaya,A.I.; Shevchenko,V.I., Journal of general chemistry of the USSR, 1977, vol. 47, p. 43 - 45

  摘要：

  DOI：
• 作为产物：
  描述：

  1-碘丁烷 、 potassium tricyanomethide 以 乙腈 为溶剂， 反应 72.0h， 以26%的产率得到2,2-dicyanohexanenitrile
  参考文献：
  名称：

  Rakus, Klaus; Verevkin, Sergej P.; Beckhaus, Hans-Dieter, Chemische Berichte, 1994, vol. 127, # 11, p. 2225 - 2234

  摘要：

  DOI：

文献信息

• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210246098A1

  公开（公告）日：2021-08-12

  An electrolyte solution containing a compound represented by the following formula (1). In the formula, Rf 101 is CF 3 —, CF 2 H—, or CFH 2 —, and R 101 is an optionally fluorinated C2-C5 alkenyl group or an optionally fluorinated C2-C8 alkynyl group and optionally contains Si in a structure:

  含有以下公式（1）所代表的化合物的电解质溶液。在该公式中，Rf101是CF3—、CF2H—或CFH2—，而R101是一个可选择氟化的C2-C5烯基或一个可选择氟化的C2-C8炔基，并且在结构中可含有Si。
• 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0024776A1

  公开（公告）日：1981-03-11

  Compounds represented by the formula wherein A is H, where R is alkyl of one through six carbon atoms; X is hydrogen, fluoro, chloro, bromo, iodo, hydroxy, alkoxy of one through four carbon atoms, benzyloxy, alkyl of one through four carbon atoms, alkylthio of one through four carbon atoms, alkylsulfinyl of one through four carbon atoms, alkylsulfonyl of one through four carbon atoms or trifluoromethyl; and Y is hydrogen or is the same as X; and R' is hydrogen or alkyl of one through four carbon atoms; the phenyl substituent carrying the X and Y is at the 4- or 5-position of the tetrahydropyrimidine ring when R' is hydrogen or is at the 5-position when R' is alkyl; and the pharmaceutically acceptable salts thereof. These compounds are pharmaceutically useful for treating depression, anxiety, convulsions, centrally-induced' skeletal muscle spasm and spasticity.

  由式表示的化合物 式中 A 是 H 其中 R 是一至六个碳原子的烷基； X 是氢、氟、氯、溴、碘、羟基、一至四个碳原子的烷氧基、苄氧基、一至四个碳原子的烷基、一至四个碳原子的烷硫基、一至四个碳原子的烷基亚磺酰基、一至四个碳原子的烷基磺酰基或三氟甲基；和 Y 是氢或与 X 相同；以及 R'为氢或一至四个碳原子的烷基；当 R' 为氢时，携带 X 和 Y 的苯基取代基位于四氢嘧啶环的 4 位或 5 位，当 R' 为烷基时，位于 5 位；及其药学上可接受的盐类。 这些化合物可用于治疗抑郁症、焦虑症、抽搐、中枢诱发的骨骼肌痉挛和痉挛。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE
  申请人：Daikin Industries, Ltd.

  公开号：EP3694041A1

  公开（公告）日：2020-08-12

  The invention provides an electrolyte solution capable of improving the high-temperature storage characteristics and cycle characteristics of an electrochemical device. The electrolyte solution contains at least one selected from the group consisting of a compound represented by the following formula (1-1) (wherein Rf111s are the same as or different from each other and are each a C2-C4 fluorinated alkenyl group), a compound represented by the following formula (1-2) (wherein R121 is a C1-C4 alkyl group; and Rf121 is a C2-C4 fluorinated alkenyl group), and a compound represented by the following formula (1-3) (wherein Rf131 is a C1-C3 fluorinated alkyl group; and R131 is a C6-C12 aryl group).

  本发明提供了一种能够改善电化学装置的高温存储特性和循环特性的电解质溶液。该电解质溶液含有至少一种选自由下式（1-1）代表的化合物（其中 Rf111s 彼此相同或不同，且各自为 C2-C4 氟化烯基）、下式（1-2）代表的化合物（其中 R121 为 C1-C4 烷基；和 Rf121 是 C2-C4 氟化烯基），以及下式（1-3）代表的化合物（其中 Rf131 是 C1-C3 氟化烷基；和 R131 是 C6-C12 芳基）。